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Home > Bromides > 1504876-00-9
1504876-00-9 | Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester
CAS No: 1504876-00-9 Catalog No: AG001MNA MDL No:MFCD24107034
Product Description
Catalog Number:
AG001MNA
Chemical Name:
Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester
CAS Number:
1504876-00-9
Molecular Formula:
C9H7BrF2O2
Molecular Weight:
265.0515
MDL Number:
MFCD24107034
IUPAC Name:
ethyl 3-bromo-2,5-difluorobenzoate
InChI:
InChI=1S/C9H7BrF2O2/c1-2-14-9(13)6-3-5(11)4-7(10)8(6)12/h3-4H,2H2,1H3
InChI Key:
LNANLRIATMKUKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)cc(c1F)Br
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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