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Home > Nitro Compounds > 331460-40-3
331460-40-3 | 2-[(3-methylphenyl)sulfanyl]-N-(2-nitrophenyl)acetamide
CAS No: 331460-40-3 Catalog No: AG00IWT2 MDL No:MFCD00169505
Product Description
Catalog Number:
AG00IWT2
Chemical Name:
2-[(3-methylphenyl)sulfanyl]-N-(2-nitrophenyl)acetamide
CAS Number:
331460-40-3
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
MDL Number:
MFCD00169505
IUPAC Name:
2-(3-methylphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
InChI:
InChI=1S/C15H14N2O3S/c1-11-5-4-6-12(9-11)21-10-15(18)16-13-7-2-3-8-14(13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChI Key:
BTSHTAJTINCNSU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])CSc1cccc(c1)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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