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1181294-97-2 | 3-(2-Nitrophenyl)benzaldehyde
CAS No: 1181294-97-2 Catalog No: AG01FF4Y MDL No:
Product Description
Catalog Number:
AG01FF4Y
Chemical Name:
3-(2-Nitrophenyl)benzaldehyde
CAS Number:
1181294-97-2
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
3-(2-nitrophenyl)benzaldehyde
InChI:
InChI=1S/C13H9NO3/c15-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14(16)17/h1-9H
InChI Key:
BEHUWDXVYUVMOV-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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