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19051-30-0 | Benzeneacetonitrile, 2-nitro-α-(phenylmethylene)-
CAS No: 19051-30-0 Catalog No: AG002ELM MDL No:
Product Description
Catalog Number:
AG002ELM
Chemical Name:
Benzeneacetonitrile, 2-nitro-α-(phenylmethylene)-
CAS Number:
19051-30-0
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
(Z)-2-(2-nitrophenyl)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C15H10N2O2/c16-11-13(10-12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(18)19/h1-10H/b13-10+
InChI Key:
QPOKESDOJWYPOO-JLHYYAGUSA-N
SMILES:
N#CC(=Cc1ccccc1)c1ccccc1[N+](=O)[O-]
NSC Number:
126371
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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