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Home > Nitro Compounds > 303988-14-9
303988-14-9 | N-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS No: 303988-14-9 Catalog No: AG00INH4 MDL No:MFCD01569096
Product Description
Catalog Number:
AG00INH4
Chemical Name:
N-cyclopropyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzamide
CAS Number:
303988-14-9
Molecular Formula:
C17H16N2O3S
Molecular Weight:
328.3855
MDL Number:
MFCD01569096
IUPAC Name:
N-cyclopropyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
InChI:
InChI=1S/C17H16N2O3S/c1-11-2-7-14(8-3-11)23-16-9-4-12(10-15(16)19(21)22)17(20)18-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,18,20)
InChI Key:
GAFPDOQWSMWQST-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC1CC1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.386g/mol
Monoisotopic Mass:
328.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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