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14371-77-8 | Benzenethiol, 2-chloro-6-nitro-
CAS No: 14371-77-8 Catalog No: AG001I8W MDL No:
Product Description
Catalog Number:
AG001I8W
Chemical Name:
Benzenethiol, 2-chloro-6-nitro-
CAS Number:
14371-77-8
Molecular Formula:
C6H4ClNO2S
Molecular Weight:
189.6195
IUPAC Name:
2-chloro-6-nitrobenzenethiol
InChI:
InChI=1S/C6H4ClNO2S/c7-4-2-1-3-5(6(4)11)8(9)10/h1-3,11H
InChI Key:
CKVPGKFNEHLOFL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1S)Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.613g/mol
Monoisotopic Mass:
188.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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