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Pharmaceutical Intermediates
Benzoic acid, 2-hydroxy-, 2-chlorophenyl ester
CAS:
40501-42-6
MW:
248.66176
MF:
C13H9ClO3
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Benzoic acid, 2-hydroxy-, 2-chlorophenyl ester
1.2 Synonyms
2-Chlorophenyl 2-hydroxybenzoate; 2-Chlorophenyl salicylate; o-Chlorophenyl salicylate; Salicylsaeure-(2-chlor-phenylester); Salicylsaeure-o-chlorphenylester;
1.3 CAS No.
40501-42-6
1.4 CID
14223963
1.5 Molecular Formula
C13H9ClO3
1.6 Inchi
InChI=1S/C13H9ClO3/c14-10-6-2-4-8-12(10)17-13(16)9-5-1-3-7-11(9)15/h1-8,15H
1.7 InChkey
FWSWFCIRSUDUOM-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)O
1.9 Isomers Smiles
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)O
2. Computed Properties
Molecular Weight:
248.66176g/mol
Molecular Formula:
C
13
H
9
ClO
3
Compound Is Canonicalized:
True
XLogP3-AA:
248.0240218
Monoisotopic Mass:
248.0240218
Complexity:
269
Rotatable Bond Count:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
46.5
Heavy Atom Count::
17
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:
AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAADAaAmCAwDoAABgCIAiDSCAACCAAkJUAIiAEGC8gMJzeHNxqCe2Cl4BEIuYeIyCCOAAAAAAAICAAAAAAAABAQAAAAAAAAAA==
3. Toltal 2 Suppliers
View more
Hangzhou J&H Chemical Co., Ltd
Tel:
Update Time:
2017/12/14
inquire
run-biotech Co., Ltd.
Tel:
Update Time:
2014/09/14
inquire
4. Realated Product Infomation
Benzoic acid, 2-hydroxy-, 3-chlorophenyl ester
cas:126165-45-5
Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester
cas:85392-26-3
4-[(2-Chlorophenyl)(Hydroxy)Phenylmethyl]Benzoic Acid
cas:172976-68-0
Benzoic acid, hydroxy-,ethyl ester
cas:1321-50-2
Benzoic acid, 3-hydroxy-, phenylMethyl ester
cas:77513-40-7
Benzoic acid,4-hydroxy-, tributylstannyl ester
cas:7414-81-5
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Computational chemical data
3.
Toltal 2 Suppliers
4.
Realated Product Infomation
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