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1242339-13-4

1242339-13-4 | 3-(2-Chloro-3-nitrophenyl)benzaldehyde

CAS No: 1242339-13-4 Catalog No: AG01FCKS MDL No:

Product Description

Catalog Number:
AG01FCKS
Chemical Name:
3-(2-Chloro-3-nitrophenyl)benzaldehyde
CAS Number:
1242339-13-4
Molecular Formula:
C13H8ClNO3
Molecular Weight:
261.6605
IUPAC Name:
3-(2-chloro-3-nitrophenyl)benzaldehyde
InChI:
InChI=1S/C13H8ClNO3/c14-13-11(5-2-6-12(13)15(17)18)10-4-1-3-9(7-10)8-16/h1-8H
InChI Key:
TWSIBEDNRPFFNB-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cccc(c1Cl)[N+](=O)[O-]

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.019g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.661g/mol
Monoisotopic Mass:
261.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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