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Home > Bromides > 1427373-55-4
1427373-55-4 | 3-Bromo-6-fluoro-2-methyl-benzoic acid
CAS No: 1427373-55-4 Catalog No: AG0039HN MDL No:MFCD23712078
Product Description
Catalog Number:
AG0039HN
Chemical Name:
3-Bromo-6-fluoro-2-methyl-benzoic acid
CAS Number:
1427373-55-4
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD23712078
IUPAC Name:
3-bromo-6-fluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
DHAJISDATRWQGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1C)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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