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Home > Nitro Compounds > 303988-31-0
303988-31-0 | 3-nitro-4-(phenylsulfanyl)-N-(propan-2-yl)benzamide
CAS No: 303988-31-0 Catalog No: AG00INO8 MDL No:MFCD01569113
Product Description
Catalog Number:
AG00INO8
Chemical Name:
3-nitro-4-(phenylsulfanyl)-N-(propan-2-yl)benzamide
CAS Number:
303988-31-0
Molecular Formula:
C16H16N2O3S
Molecular Weight:
316.3748
MDL Number:
MFCD01569113
IUPAC Name:
3-nitro-4-phenylsulfanyl-N-propan-2-ylbenzamide
InChI:
InChI=1S/C16H16N2O3S/c1-11(2)17-16(19)12-8-9-15(14(10-12)18(20)21)22-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,19)
InChI Key:
PQPNQDHOIZFCMF-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.375g/mol
Monoisotopic Mass:
316.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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