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102153-42-4 | Benzenamine, 4-chloro-2-(methylsulfonyl)-
CAS No: 102153-42-4 Catalog No: AG0006R3 MDL No:
Product Description
Catalog Number:
AG0006R3
Chemical Name:
Benzenamine, 4-chloro-2-(methylsulfonyl)-
CAS Number:
102153-42-4
Molecular Formula:
C7H8ClNO2S
Molecular Weight:
205.6619
IUPAC Name:
4-chloro-2-methylsulfonylaniline
InChI:
InChI=1S/C7H8ClNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChI Key:
FGQDFMQIRCHBHY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)C)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.656g/mol
Monoisotopic Mass:
204.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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