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Syntheses Material Intermediates
Benzoic acid,4-hydroxy-, tributylstannyl ester
CAS:
7414-81-5
MW:
427.16558
MF:
C19H32O3Sn
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Benzoic acid,4-hydroxy-, tributylstannyl ester
1.2 Synonyms
231-024-1; 4-{[(Tributylstannyl)oxy]carbonyl}phenol; Benzoic acid, 4-hydroxy-, tributylstannyl ester; Benzoic acid, p-hydroxy-, tributyltin deriv.; Benzoic acid, p-hydroxy-,tributyltin deriv. (8CI); DTXSID30225108; EINECS 231-024-1; NS00047181; Phenol, 4-[[(tributylstannyl)oxy]carbonyl]-; Phenol,4-[[(tributylstannyl)oxy]carbonyl]- (9CI); Tin, tributyl[(p-hydroxybenzoyl)oxy]-; Tin,tributyl[(p-hydroxybenzoyl)oxy]- (7CI,8CI); Tributylstannyl 4-hydroxybenzoate; Tributylstannyl p-hydroxybenzoate; Tributylstannylp-hydroxybenzoate; Tributyltin p-hydroxybenzoate; Tributyltinp-hydroxybenzoate;
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1.3 CAS No.
7414-81-5
1.4 CID
16683980
1.5 EINECS
231-024-1
1.6 Molecular Formula
C19H32O3Sn
1.7 Inchi
InChI=1S/C7H6O3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
1.8 InChkey
CINMZTUXCWJRJI-UHFFFAOYSA-M
1.9 Canonical Smiles
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)O
1.10 Isomers Smiles
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)O
2. Synthesis Route
7414-81-5
Total: 1 Synthesis Route
56-35-9
53 Suppliers
99-96-7
354 Suppliers
7414-81-5
1 Suppliers
3. Precursor and Product
precursor:
56-35-9
99-96-7
4. Computed Properties
Molecular Weight:
427.16558g/mol
Molecular Formula:
C
19
H
32
O
3
Sn
Compound Is Canonicalized:
True
XLogP3-AA:
428.137347
Monoisotopic Mass:
428.137347
Complexity:
303
Rotatable Bond Count:
12
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
46.5
Heavy Atom Count::
23
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcfB4MAAAAAAAAACAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeI7CTOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==
5. Toltal 1 Suppliers
View more
Hubei Jiutian Bio-medical Technology Co., Ltd
1YR
Tel:
Update Time:
2024/09/17
inquire
6. Realated Product Infomation
Benzoic acid, 4-iodo-,tributylstannyl ester
cas:73940-88-2
Benzoic acid,2,4-dimethoxy-3-(tributylstannyl)-, 2,5-dioxo-1-pyrrolidinyl ester
cas:122452-56-6
2-(Tributylstannyl)acrylic Acid Methyl Ester
cas:124582-37-2
Hexanedioic acid,1,6-bis(tributylstannyl) ester
cas:7437-35-6
Benzoic acid, hydroxy-,ethyl ester
cas:1321-50-2
2-Propenoic acid, 2-[(tributylstannyl)methyl]-, ethyl ester
cas:108286-71-1
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
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