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Home > Nitro Compounds > 823227-10-7
823227-10-7 | Benzonitrile, 2-[6-(2-nitrophenyl)-3-hexene-1,5-diynyl]-
CAS No: 823227-10-7 Catalog No: AG004YWH MDL No:
Product Description
Catalog Number:
AG004YWH
Chemical Name:
Benzonitrile, 2-[6-(2-nitrophenyl)-3-hexene-1,5-diynyl]-
CAS Number:
823227-10-7
Molecular Formula:
C19H10N2O2
Molecular Weight:
298.2949
IUPAC Name:
2-[6-(2-nitrophenyl)hex-3-en-1,5-diynyl]benzonitrile
InChI:
InChI=1S/C19H10N2O2/c20-15-18-13-6-5-10-16(18)9-3-1-2-4-11-17-12-7-8-14-19(17)21(22)23/h1-2,5-8,10,12-14H
InChI Key:
HGRBIRHJQFIFJG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#CC=CC#Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.301g/mol
Monoisotopic Mass:
298.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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