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Home > Nitro Compounds > 90946-69-3
90946-69-3 | 3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol
CAS No: 90946-69-3 Catalog No: AG00IQPN MDL No:MFCD00454846
Product Description
Catalog Number:
AG00IQPN
Chemical Name:
3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol
CAS Number:
90946-69-3
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD00454846
IUPAC Name:
5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C10H9N3O3/c1-7-6-10(14)12(11-7)8-2-4-9(5-3-8)13(15)16/h2-6,11H,1H3
InChI Key:
RPUNZAYBJWRPCQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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