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Home > Nitro Compounds > 6720-37-2
6720-37-2 | Nitrobenzene, 3-(2-cyano-2-phenylethenyl)
CAS No: 6720-37-2 Catalog No: AG00FUYN MDL No:
Product Description
Catalog Number:
AG00FUYN
Chemical Name:
Nitrobenzene, 3-(2-cyano-2-phenylethenyl)
CAS Number:
6720-37-2
IUPAC Name:
(E)-3-(3-nitrophenyl)-2-phenylprop-2-enenitrile
InChI:
InChI=1S/C15H10N2O2/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15(10-12)17(18)19/h1-10H/b14-9-
InChI Key:
MHBAKHXIYJYROG-ZROIWOOFSA-N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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