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1260778-50-4 | Methyl 4-chloro-2-methylbenzoylformate
CAS No: 1260778-50-4 Catalog No: AG01FCLJ MDL No:
Product Description
Catalog Number:
AG01FCLJ
Chemical Name:
Methyl 4-chloro-2-methylbenzoylformate
CAS Number:
1260778-50-4
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
methyl 2-(4-chloro-2-methylphenyl)-2-oxoacetate
InChI:
InChI=1S/C10H9ClO3/c1-6-5-7(11)3-4-8(6)9(12)10(13)14-2/h3-5H,1-2H3
InChI Key:
APWJHGSWHMASDB-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccc(cc1C)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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