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1256479-78-3 | 4-Chloro-3,5-difluorobenzoic acid ethyl ester
CAS No: 1256479-78-3 Catalog No: AG01FAA7 MDL No:
Product Description
Catalog Number:
AG01FAA7
Chemical Name:
4-Chloro-3,5-difluorobenzoic acid ethyl ester
CAS Number:
1256479-78-3
Molecular Formula:
C9H7ClF2O2
Molecular Weight:
220.6005
IUPAC Name:
ethyl 4-chloro-3,5-difluorobenzoate
InChI:
InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-6(11)8(10)7(12)4-5/h3-4H,2H2,1H3
InChI Key:
JLZWZJCSRGMVQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(c(c1)F)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.6g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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