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Home > Nitro Compounds > 1401786-57-9
1401786-57-9 | 4-METHYL-5-(3-NITROPHENYL)-1H-PYRAZOLE
CAS No: 1401786-57-9 Catalog No: AG01BVWH MDL No:MFCD03407409
Product Description
Catalog Number:
AG01BVWH
Chemical Name:
4-METHYL-5-(3-NITROPHENYL)-1H-PYRAZOLE
CAS Number:
1401786-57-9
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD03407409
IUPAC Name:
4-methyl-5-(3-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C10H9N3O2/c1-7-6-11-12-10(7)8-3-2-4-9(5-8)13(14)15/h2-6H,1H3,(H,11,12)
InChI Key:
OWXRFEUZSNVAMV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1n[nH]cc1C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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