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205744-82-7 | Propanedial, 2-(4-chloro-2-nitrophenyl)-
CAS No: 205744-82-7 Catalog No: AG002AB2 MDL No:MFCD00216498
Product Description
Catalog Number:
AG002AB2
Chemical Name:
Propanedial, 2-(4-chloro-2-nitrophenyl)-
CAS Number:
205744-82-7
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
MDL Number:
MFCD00216498
IUPAC Name:
2-(4-chloro-2-nitrophenyl)propanedial
InChI:
InChI=1S/C9H6ClNO4/c10-7-1-2-8(6(4-12)5-13)9(3-7)11(14)15/h1-6H
InChI Key:
NYLPVNGQGLWFEA-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1[N+](=O)[O-])Cl)C=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.6g/mol
Monoisotopic Mass:
226.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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