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85897-30-9 | Propanamide, 3-[(2-chloroethyl)sulfonyl]-N-[(ethenylphenyl)methyl]-
CAS No: 85897-30-9 Catalog No: AG004NHF MDL No:
Product Description
Catalog Number:
AG004NHF
Chemical Name:
Propanamide, 3-[(2-chloroethyl)sulfonyl]-N-[(ethenylphenyl)methyl]-
CAS Number:
85897-30-9
Molecular Formula:
C14H18ClNO3S
Molecular Weight:
315.8156
IUPAC Name:
3-(2-chloroethylsulfonyl)-N-[(2-ethenylphenyl)methyl]propanamide
InChI:
InChI=1S/C14H18ClNO3S/c1-2-12-5-3-4-6-13(12)11-16-14(17)7-9-20(18,19)10-8-15/h2-6H,1,7-11H2,(H,16,17)
InChI Key:
QTKNFDOTNFIJOL-UHFFFAOYSA-N
SMILES:
ClCCS(=O)(=O)CCC(=O)NCc1ccccc1C=C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.812g/mol
Monoisotopic Mass:
315.07g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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