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Home > Fluorides > 144267-96-9
144267-96-9 | Benzoic acid, 3,4-difluoro-, ethyl ester
CAS No: 144267-96-9 Catalog No: AG001J7M MDL No:MFCD00272138
Product Description
Catalog Number:
AG001J7M
Chemical Name:
Benzoic acid, 3,4-difluoro-, ethyl ester
CAS Number:
144267-96-9
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD00272138
IUPAC Name:
ethyl 3,4-difluorobenzoate
InChI:
InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChI Key:
NKIWNSXGZXESSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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