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Home > Nitro Compounds > 15804-73-6
15804-73-6 | Benzonitrile, 3-(2-nitro-1-propen-1-yl)-
CAS No: 15804-73-6 Catalog No: AG001PXH MDL No:
Product Description
Catalog Number:
AG001PXH
Chemical Name:
Benzonitrile, 3-(2-nitro-1-propen-1-yl)-
CAS Number:
15804-73-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
3-(2-nitroprop-1-enyl)benzonitrile
InChI:
InChI=1S/C10H8N2O2/c1-8(12(13)14)5-9-3-2-4-10(6-9)7-11/h2-6H,1H3
InChI Key:
KIJATRMBSCGLFJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C=C([N+](=O)[O-])C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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