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64471-84-7 | Methyl 3,4-dichlorobenzoylformate
CAS No: 64471-84-7 Catalog No: AG01FEIV MDL No:
Product Description
Catalog Number:
AG01FEIV
Chemical Name:
Methyl 3,4-dichlorobenzoylformate
CAS Number:
64471-84-7
Molecular Formula:
C9H6Cl2O3
Molecular Weight:
233.0481
IUPAC Name:
methyl 2-(3,4-dichlorophenyl)-2-oxoacetate
InChI:
InChI=1S/C9H6Cl2O3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChI Key:
NUAILWVYGIMNHP-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.044g/mol
Monoisotopic Mass:
231.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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