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Home > Nitro Compounds > 159394-71-5
159394-71-5 | Benzonitrile, 3-[2-(4-nitrophenyl)ethenyl]-, (E)- (9CI)
CAS No: 159394-71-5 Catalog No: AG001QNY MDL No:
Product Description
Catalog Number:
AG001QNY
Chemical Name:
Benzonitrile, 3-[2-(4-nitrophenyl)ethenyl]-, (E)- (9CI)
CAS Number:
159394-71-5
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
3-[(E)-2-(4-nitrophenyl)ethenyl]benzonitrile
InChI:
InChI=1S/C15H10N2O2/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(9-7-12)17(18)19/h1-10H/b5-4+
InChI Key:
TUDDRKKJHAHZAS-SNAWJCMRSA-N
SMILES:
N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
383
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:
3.7
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