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10140-89-3 | Propanal, 2,3-dichloro-
CAS No: 10140-89-3 Catalog No: AG0004EP MDL No:
Product Description
Catalog Number:
AG0004EP
Chemical Name:
Propanal, 2,3-dichloro-
CAS Number:
10140-89-3
Molecular Formula:
C3H4Cl2O
Molecular Weight:
126.9693
IUPAC Name:
2,3-dichloropropanal
InChI:
InChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2
InChI Key:
IZRKUJREXIKAQM-UHFFFAOYSA-N
SMILES:
ClC(C=O)CCl
EC Number:
233-399-7
Properties
Complexity:
46.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.964g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.964g/mol
Monoisotopic Mass:
125.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Autoxidative activation of the nematocide 1,3-dichloropropene to highly genotoxic and mutagenic derivatives: consideration of genotoxic/carcinogenic mechanisms. | Chemical research in toxicology 20060701 |
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