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1379361-62-2 | Methyl 4-chloro-3-fluorobenzoylformate
CAS No: 1379361-62-2 Catalog No: AG01FCPF MDL No:
Product Description
Catalog Number:
AG01FCPF
Chemical Name:
Methyl 4-chloro-3-fluorobenzoylformate
CAS Number:
1379361-62-2
Molecular Formula:
C9H6ClFO3
Molecular Weight:
216.5935
IUPAC Name:
methyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate
InChI:
InChI=1S/C9H6ClFO3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChI Key:
JNWDCTVANJUHNP-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.592g/mol
Monoisotopic Mass:
215.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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