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Home > Nitro Compounds > 139756-01-7
139756-01-7 | 1H-Pyrazole-5-carboxamide, 1-methyl-4-nitro-3-propyl-
CAS No: 139756-01-7 Catalog No: AG001BO0 MDL No:MFCD02253196
Product Description
Catalog Number:
AG001BO0
Chemical Name:
1H-Pyrazole-5-carboxamide, 1-methyl-4-nitro-3-propyl-
CAS Number:
139756-01-7
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
MDL Number:
MFCD02253196
IUPAC Name:
2-methyl-4-nitro-5-propylpyrazole-3-carboxamide
InChI:
InChI=1S/C8H12N4O3/c1-3-4-5-6(12(14)15)7(8(9)13)11(2)10-5/h3-4H2,1-2H3,(H2,9,13)
InChI Key:
BMLPAJIEDKJHSB-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1[N+](=O)[O-])C(=O)N)C
UNII:
7Y5R094CF5
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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