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2037-31-2 | 3-Chlorothiophenol
CAS No: 2037-31-2 Catalog No: AG003JBU MDL No:MFCD00004839
Product Description
Catalog Number:
AG003JBU
Chemical Name:
3-Chlorothiophenol
CAS Number:
2037-31-2
Molecular Formula:
C6H5ClS
Molecular Weight:
144.6219
MDL Number:
MFCD00004839
IUPAC Name:
3-chlorobenzenethiol
InChI:
InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChI Key:
CQJDYPZUDYXHLM-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)Cl
EC Number:
218-010-0
NSC Number:
32020
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.98g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.616g/mol
Monoisotopic Mass:
143.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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