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2719-14-4 | 3-Methyl-4-nitro-N-acetylbenzeneamine
CAS No: 2719-14-4 Catalog No: AG003JQ7 MDL No:MFCD00024277
Product Description
Catalog Number:
AG003JQ7
Chemical Name:
3-Methyl-4-nitro-N-acetylbenzeneamine
CAS Number:
2719-14-4
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD00024277
IUPAC Name:
N-(4-methyl-3-nitrophenyl)acetamide
InChI:
InChI=1S/C9H10N2O3/c1-6-3-4-8(10-7(2)12)5-9(6)11(13)14/h3-5H,1-2H3,(H,10,12)
InChI Key:
XYTSBFSNPUGBIH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C)[N+](=O)[O-]
EC Number:
220-319-0
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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