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83119-51-1 | Benzenethiol, 2,3-dichloro-4-methoxy-
CAS No: 83119-51-1 Catalog No: AG005BAX MDL No:
Product Description
Catalog Number:
AG005BAX
Chemical Name:
Benzenethiol, 2,3-dichloro-4-methoxy-
CAS Number:
83119-51-1
Molecular Formula:
C7H6Cl2OS
Molecular Weight:
209.0929
IUPAC Name:
2,3-dichloro-4-methoxybenzenethiol
InChI:
InChI=1S/C7H6Cl2OS/c1-10-4-2-3-5(11)7(9)6(4)8/h2-3,11H,1H3
InChI Key:
YDSLCJAIZJHFTI-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Cl)Cl)S
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.952g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.084g/mol
Monoisotopic Mass:
207.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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