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Home > Nitro Compounds > 1240572-87-5
1240572-87-5 | 3-nitro-1-(2-phenylpropyl)-1H-pyrazole
CAS No: 1240572-87-5 Catalog No: AG00JUZJ MDL No:
Product Description
Catalog Number:
AG00JUZJ
Chemical Name:
3-nitro-1-(2-phenylpropyl)-1H-pyrazole
CAS Number:
1240572-87-5
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
3-nitro-1-(2-phenylpropyl)pyrazole
InChI:
InChI=1S/C12H13N3O2/c1-10(11-5-3-2-4-6-11)9-14-8-7-12(13-14)15(16)17/h2-8,10H,9H2,1H3
InChI Key:
FSNNCOFVHBBNNF-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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