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Home > Nitro Compounds > 1240590-79-7
1240590-79-7 | 3-nitro-1-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazole
CAS No: 1240590-79-7 Catalog No: AG00JUZS MDL No:MFCD16810644
Product Description
Catalog Number:
AG00JUZS
Chemical Name:
3-nitro-1-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazole
CAS Number:
1240590-79-7
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD16810644
IUPAC Name:
3-nitro-1-[(E)-3-phenylprop-2-enyl]pyrazole
InChI:
InChI=1S/C12H11N3O2/c16-15(17)12-8-10-14(13-12)9-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2/b7-4+
InChI Key:
VPHHZANQFITIGS-QPJJXVBHSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)C/C=C/c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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