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Home > Nitro Compounds > 5153-73-1
5153-73-1 | (E)-4-(2-Nitrovinyl)benzonitrile
CAS No: 5153-73-1 Catalog No: AG003CZ6 MDL No:MFCD00176174
Product Description
Catalog Number:
AG003CZ6
Chemical Name:
(E)-4-(2-Nitrovinyl)benzonitrile
CAS Number:
5153-73-1
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD00176174
IUPAC Name:
4-[(E)-2-nitroethenyl]benzonitrile
InChI:
InChI=1S/C9H6N2O2/c10-7-9-3-1-8(2-4-9)5-6-11(12)13/h1-6H/b6-5+
InChI Key:
CVWPMONBGNBYCJ-AATRIKPKSA-N
SMILES:
N#Cc1ccc(cc1)/C=C/[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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