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Pharmaceutical Intermediates
1-(benzyloxy)-2,4-dichloro-5-iodobenzene
CAS:
847560-51-4
MW:
379.018
MF:
C13H9Cl2IO
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1-(benzyloxy)-2,4-dichloro-5-iodobenzene
1.2 Synonyms
1-(benzyloxy)-2,4-dichloro-5-iodobenzene;
1.3 CAS No.
847560-51-4
1.4 CID
44220505
1.5 Molecular Formula
C13H9Cl2IO
1.6 Inchi
InChI=1S/C13H9Cl2IO/c14-10-6-11(15)13(7-12(10)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
1.7 InChkey
FDIUWZQGMDBWDJ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)COC2=CC(=C(C=C2Cl)Cl)I
1.9 Isomers Smiles
C1=CC=C(C=C1)COC2=CC(=C(C=C2Cl)Cl)I
2. Computed Properties
Molecular Weight:
379.018g/mol
Molecular Formula:
C
13
H
9
Cl
2
IO
Compound Is Canonicalized:
True
Exact Mass:
5.3
XLogP3-AA:
377.90752
Monoisotopic Mass:
377.90752
Complexity:
234
Rotatable Bond Count:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
9.2
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:
AAADccBwIAAGAgAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIgAAAADAaimCIwBoAABACAAiBCAAACCAAgJUAIiAAGC4gMJiOFMxqCOCCkwBEIqAeAwCAOACAAAACACAAAQAAAAQAQAAAAAAAAAA==
3. Toltal 2 Suppliers
View more
Shanghai Hope Chem Co., Ltd.
Tel:
Update Time:
2018/11/21
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Tianjin Derchemist Sci
Tel:
Update Time:
2019/02/25
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4. Realated Product Infomation
1-BENZYLOXY-3-IODOBENZENE
cas:107623-21-2
1-(benzyloxy)-2-iodobenzene
cas:142523-69-1
1,2-Dichloro-3-iodobenzene
cas:2401-21-0
1,4-DICHLORO-2-IODOBENZENE
cas:29682-41-5
1,3-DICHLORO-4-IODOBENZENE
cas:29898-32-6
1,3-Dichloro-2-fluoro-5-iodobenzene
cas:133307-08-1
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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