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Home > Nitro Compounds > 956193-94-5
956193-94-5 | 3-(1,3-dimethyl-1H-pyrazol-5-yl)-1-(2-nitrophenyl)urea
CAS No: 956193-94-5 Catalog No: AG00IX2W MDL No:MFCD05669730
Product Description
Catalog Number:
AG00IX2W
Chemical Name:
3-(1,3-dimethyl-1H-pyrazol-5-yl)-1-(2-nitrophenyl)urea
CAS Number:
956193-94-5
Molecular Formula:
C12H13N5O3
Molecular Weight:
275.2633
MDL Number:
MFCD05669730
IUPAC Name:
1-(2,5-dimethylpyrazol-3-yl)-3-(2-nitrophenyl)urea
InChI:
InChI=1S/C12H13N5O3/c1-8-7-11(16(2)15-8)14-12(18)13-9-5-3-4-6-10(9)17(19)20/h3-7H,1-2H3,(H2,13,14,18)
InChI Key:
HPGYAYPGDXPUTQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])Nc1cc(nn1C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.268g/mol
Monoisotopic Mass:
275.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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