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Home > Nitro Compounds > 303988-29-6
303988-29-6 | N-cyclohexyl-3-nitro-4-(phenylsulfanyl)benzamide
CAS No: 303988-29-6 Catalog No: AG00INH7 MDL No:MFCD01569111
Product Description
Catalog Number:
AG00INH7
Chemical Name:
N-cyclohexyl-3-nitro-4-(phenylsulfanyl)benzamide
CAS Number:
303988-29-6
Molecular Formula:
C19H20N2O3S
Molecular Weight:
356.4387
MDL Number:
MFCD01569111
IUPAC Name:
N-cyclohexyl-3-nitro-4-phenylsulfanylbenzamide
InChI:
InChI=1S/C19H20N2O3S/c22-19(20-15-7-3-1-4-8-15)14-11-12-18(17(13-14)21(23)24)25-16-9-5-2-6-10-16/h2,5-6,9-13,15H,1,3-4,7-8H2,(H,20,22)
InChI Key:
HKVROWAXTLRSNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1ccccc1)C(=O)NC1CCCCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.44g/mol
Monoisotopic Mass:
356.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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