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144267-97-0 | Benzoic acid, 2-bromo-4,5-difluoro-, ethyl ester
CAS No: 144267-97-0 Catalog No: AG001J7L MDL No:MFCD08458105
Product Description
Catalog Number:
AG001J7L
Chemical Name:
Benzoic acid, 2-bromo-4,5-difluoro-, ethyl ester
CAS Number:
144267-97-0
Molecular Formula:
C9H7BrF2O2
Molecular Weight:
265.0515
MDL Number:
MFCD08458105
IUPAC Name:
ethyl 2-bromo-4,5-difluorobenzoate
InChI:
InChI=1S/C9H7BrF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChI Key:
JPLCUBDTWNDHCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(cc1Br)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.054g/mol
Monoisotopic Mass:
263.96g/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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