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1260759-75-8 | Benzenepropanoic acid, 4-chloro-2-fluoro-, methyl ester
CAS No: 1260759-75-8 Catalog No: AG000R4H MDL No:
Product Description
Catalog Number:
AG000R4H
Chemical Name:
Benzenepropanoic acid, 4-chloro-2-fluoro-, methyl ester
CAS Number:
1260759-75-8
Molecular Formula:
C10H10ClFO2
Molecular Weight:
216.6366
IUPAC Name:
methyl 3-(4-chloro-2-fluorophenyl)propanoate
InChI:
InChI=1S/C10H10ClFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3
InChI Key:
FTXDGLDHJOIACN-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(cc1F)Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.636g/mol
Monoisotopic Mass:
216.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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