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88069-01-6 | Propanamide, 3-chloro-N-(phenylsulfonyl)-
CAS No: 88069-01-6 Catalog No: AG004KQV MDL No:
Product Description
Catalog Number:
AG004KQV
Chemical Name:
Propanamide, 3-chloro-N-(phenylsulfonyl)-
CAS Number:
88069-01-6
Molecular Formula:
C9H10ClNO3S
Molecular Weight:
247.6986
IUPAC Name:
N-(benzenesulfonyl)-3-chloropropanamide
InChI:
InChI=1S/C9H10ClNO3S/c10-7-6-9(12)11-15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key:
VHZVSZSLNKQUIH-UHFFFAOYSA-N
SMILES:
ClCCC(=O)NS(=O)(=O)c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.693g/mol
Monoisotopic Mass:
247.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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