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Home > Nitro Compounds > 28469-24-1
28469-24-1 | 4-nitro-1-(3-phenylpropyl)-1H-pyrazole
CAS No: 28469-24-1 Catalog No: AG00JV1O MDL No:MFCD16810744
Product Description
Catalog Number:
AG00JV1O
Chemical Name:
4-nitro-1-(3-phenylpropyl)-1H-pyrazole
CAS Number:
28469-24-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD16810744
IUPAC Name:
4-nitro-1-(3-phenylpropyl)pyrazole
InChI:
InChI=1S/C12H13N3O2/c16-15(17)12-9-13-14(10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChI Key:
ZXLHOOXPUUZYSI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCCc1ccccc1
Properties
Complexity:
249
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:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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