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1214379-08-4 | Benzoic acid, 2-chloro-3-fluoro-, ethyl ester
CAS No: 1214379-08-4 Catalog No: AG0014XU MDL No:
Product Description
Catalog Number:
AG0014XU
Chemical Name:
Benzoic acid, 2-chloro-3-fluoro-, ethyl ester
CAS Number:
1214379-08-4
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
IUPAC Name:
ethyl 2-chloro-3-fluorobenzoate
InChI:
InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h3-5H,2H2,1H3
InChI Key:
PHZFSXBQSUDZEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1Cl)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.609g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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