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1266888-55-4 | Methyl 3-chloro-6-methoxybenzoylformate
CAS No: 1266888-55-4 Catalog No: AG01FC9T MDL No:
Product Description
Catalog Number:
AG01FC9T
Chemical Name:
Methyl 3-chloro-6-methoxybenzoylformate
CAS Number:
1266888-55-4
Molecular Formula:
C10H9ClO4
Molecular Weight:
228.6291
IUPAC Name:
methyl 2-(5-chloro-2-methoxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C10H9ClO4/c1-14-8-4-3-6(11)5-7(8)9(12)10(13)15-2/h3-5H,1-2H3
InChI Key:
IPBCUAZQRXLTBH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.628g/mol
Monoisotopic Mass:
228.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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