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Home > Nitro Compounds > 140455-98-7
140455-98-7 | 1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-1-(4-nitrophenyl)-
CAS No: 140455-98-7 Catalog No: AG001CGV MDL No:
Product Description
Catalog Number:
AG001CGV
Chemical Name:
1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-1-(4-nitrophenyl)-
CAS Number:
140455-98-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
5,5-dimethyl-1-(4-nitrophenyl)-4H-pyrazole
InChI:
InChI=1S/C11H13N3O2/c1-11(2)7-8-12-13(11)9-3-5-10(6-4-9)14(15)16/h3-6,8H,7H2,1-2H3
InChI Key:
KCVHCDWBRSHYLB-UHFFFAOYSA-N
SMILES:
CC1(C)CC=NN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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