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Home > Nitro Compounds > 300388-15-2
300388-15-2 | N-BENZYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE
CAS No: 300388-15-2 Catalog No: AG01AOC0 MDL No:MFCD00430907
Product Description
Catalog Number:
AG01AOC0
Chemical Name:
N-BENZYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE
CAS Number:
300388-15-2
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
MDL Number:
MFCD00430907
IUPAC Name:
N-benzyl-2-methyl-4-nitropyrazole-3-carboxamide
InChI:
InChI=1S/C12H12N4O3/c1-15-11(10(8-14-15)16(18)19)12(17)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,17)
InChI Key:
DOOVCFBYVURMRD-UHFFFAOYSA-N
SMILES:
O=C(c1n(C)ncc1[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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