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10149-43-6 | Benzenamine, 5-[(2-chloroethenyl)sulfonyl]-2-methyl-
CAS No: 10149-43-6 Catalog No: AG0004LS MDL No:
Product Description
Catalog Number:
AG0004LS
Chemical Name:
Benzenamine, 5-[(2-chloroethenyl)sulfonyl]-2-methyl-
CAS Number:
10149-43-6
Molecular Formula:
C9H10ClNO2S
Molecular Weight:
231.6992
IUPAC Name:
5-(2-chloroethenylsulfonyl)-2-methylaniline
InChI:
InChI=1S/C9H10ClNO2S/c1-7-2-3-8(6-9(7)11)14(12,13)5-4-10/h2-6H,11H2,1H3
InChI Key:
DCQZFGRVOGVHFJ-UHFFFAOYSA-N
SMILES:
ClC=CS(=O)(=O)c1ccc(c(c1)N)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.694g/mol
Monoisotopic Mass:
231.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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