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24893-01-4 | 2-Propenal, 3-(2-chloro-4-nitrophenyl)-
CAS No: 24893-01-4 Catalog No: AG002PSI MDL No:
Product Description
Catalog Number:
AG002PSI
Chemical Name:
2-Propenal, 3-(2-chloro-4-nitrophenyl)-
CAS Number:
24893-01-4
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
IUPAC Name:
3-(2-chloro-4-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H6ClNO3/c10-9-6-8(11(13)14)4-3-7(9)2-1-5-12/h1-6H
InChI Key:
VDKXIAGMRMTHAF-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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