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83375-52-4 | Butanamide, 2-chloro-2-methyl-N-(4-nitrophenyl)-3-(phenylthio)-
CAS No: 83375-52-4 Catalog No: AG004S3P MDL No:
Product Description
Catalog Number:
AG004S3P
Chemical Name:
Butanamide, 2-chloro-2-methyl-N-(4-nitrophenyl)-3-(phenylthio)-
CAS Number:
83375-52-4
Molecular Formula:
C17H17ClN2O3S
Molecular Weight:
364.8465
IUPAC Name:
2-chloro-2-methyl-N-(4-nitrophenyl)-3-phenylsulfanylbutanamide
InChI:
InChI=1S/C17H17ClN2O3S/c1-12(24-15-6-4-3-5-7-15)17(2,18)16(21)19-13-8-10-14(11-9-13)20(22)23/h3-12H,1-2H3,(H,19,21)
InChI Key:
WYNHJLOAEVLYDI-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)Nc1ccc(cc1)[N+](=O)[O-])(Cl)C)Sc1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.065g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.844g/mol
Monoisotopic Mass:
364.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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