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Home > Nitro Compounds > 1339768-47-6
1339768-47-6 | 1-methyl-5-(4-nitrophenyl)-1H-pyrazole
CAS No: 1339768-47-6 Catalog No: AG00IUWZ MDL No:MFCD20444445
Product Description
Catalog Number:
AG00IUWZ
Chemical Name:
1-methyl-5-(4-nitrophenyl)-1H-pyrazole
CAS Number:
1339768-47-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD20444445
IUPAC Name:
1-methyl-5-(4-nitrophenyl)pyrazole
InChI:
InChI=1S/C10H9N3O2/c1-12-10(6-7-11-12)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3
InChI Key:
RYDRFLGHCCWBPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccnn1C
Properties
Complexity:
233
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:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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