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Home > Bromides > 1244642-70-3
1244642-70-3 | Benzoic acid, 3-bromo-4,5-difluoro-, methyl ester
CAS No: 1244642-70-3 Catalog No: AG000M1T MDL No:MFCD20483155
Product Description
Catalog Number:
AG000M1T
Chemical Name:
Benzoic acid, 3-bromo-4,5-difluoro-, methyl ester
CAS Number:
1244642-70-3
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD20483155
IUPAC Name:
methyl 3-bromo-4,5-difluorobenzoate
InChI:
InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI Key:
KDMXMSNYYICQEL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)Br)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.027g/mol
Monoisotopic Mass:
249.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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