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Home > Nitro Compounds > 1803584-68-0
1803584-68-0 | 1-(4-methyl-3-nitrophenyl)-1H-pyrazole
CAS No: 1803584-68-0 Catalog No: AG01BCYI MDL No:MFCD27990885
Product Description
Catalog Number:
AG01BCYI
Chemical Name:
1-(4-methyl-3-nitrophenyl)-1H-pyrazole
CAS Number:
1803584-68-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD27990885
IUPAC Name:
1-(4-methyl-3-nitrophenyl)pyrazole
InChI:
InChI=1S/C10H9N3O2/c1-8-3-4-9(7-10(8)13(14)15)12-6-2-5-11-12/h2-7H,1H3
InChI Key:
FWVQFKYIHNLCFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)n1cccn1
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:
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:
2.1
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