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Home > Bromides > 1191988-29-0
1191988-29-0 | Benzoic acid, 3-bromo-5-fluoro-4-methyl-
CAS No: 1191988-29-0 Catalog No: AG000IBM MDL No:MFCD19443258
Product Description
Catalog Number:
AG000IBM
Chemical Name:
Benzoic acid, 3-bromo-5-fluoro-4-methyl-
CAS Number:
1191988-29-0
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD19443258
IUPAC Name:
3-bromo-5-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
KIOZXYDLEXQKKJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Br)C
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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