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2860-96-0

2860-96-0 | Benzaldehyde, 4-[2-(4-nitrophenyl)ethenyl]-

CAS No: 2860-96-0 Catalog No: AG002VUK MDL No:

Product Description

Catalog Number:
AG002VUK
Chemical Name:
Benzaldehyde, 4-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
2860-96-0
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
4-[2-(4-nitrophenyl)ethenyl]benzaldehyde
InChI:
InChI=1S/C15H11NO3/c17-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)16(18)19/h1-11H
InChI Key:
AMHFUIBAMYJKRL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  

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