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Home > Aldehydes > 849936-29-4
849936-29-4 | 2-(3,4-dichlorophenyl)malondialdehyde
CAS No: 849936-29-4 Catalog No: AG008H9D MDL No:MFCD02261891
Product Description
Catalog Number:
AG008H9D
Chemical Name:
2-(3,4-dichlorophenyl)malondialdehyde
CAS Number:
849936-29-4
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
MDL Number:
MFCD02261891
IUPAC Name:
2-(3,4-dichlorophenyl)propanedial
InChI:
InChI=1S/C9H6Cl2O2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-5,7H
InChI Key:
FFKPYMPSYNYNAX-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(c(c1)Cl)Cl)C=O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.045g/mol
Monoisotopic Mass:
215.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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