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1443307-47-8 | Methyl 4-chloro-3,5-dimethylbenzoylformate
CAS No: 1443307-47-8 Catalog No: AG01FBB4 MDL No:
Product Description
Catalog Number:
AG01FBB4
Chemical Name:
Methyl 4-chloro-3,5-dimethylbenzoylformate
CAS Number:
1443307-47-8
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
methyl 2-(4-chloro-3,5-dimethylphenyl)-2-oxoacetate
InChI:
InChI=1S/C11H11ClO3/c1-6-4-8(5-7(2)9(6)12)10(13)11(14)15-3/h4-5H,1-3H3
InChI Key:
AEJOJCRTIUTPCD-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cc(C)c(c(c1)C)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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