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10149-42-5 | Benzenamine, 3-[(2-chloroethenyl)sulfonyl]-
CAS No: 10149-42-5 Catalog No: AG0004LT MDL No:
Product Description
Catalog Number:
AG0004LT
Chemical Name:
Benzenamine, 3-[(2-chloroethenyl)sulfonyl]-
CAS Number:
10149-42-5
Molecular Formula:
C8H8ClNO2S
Molecular Weight:
217.6726
IUPAC Name:
3-(2-chloroethenylsulfonyl)aniline
InChI:
InChI=1S/C8H8ClNO2S/c9-4-5-13(11,12)8-3-1-2-7(10)6-8/h1-6H,10H2
InChI Key:
LSPIUJLYLYZJAH-UHFFFAOYSA-N
SMILES:
ClC=CS(=O)(=O)c1cccc(c1)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.667g/mol
Monoisotopic Mass:
216.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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