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161622-14-6 | Benzoic acid, 4-bromo-3-(trifluoromethyl)-
CAS No: 161622-14-6 Catalog No: AG001VRH MDL No:MFCD08459288
Product Description
Catalog Number:
AG001VRH
Chemical Name:
Benzoic acid, 4-bromo-3-(trifluoromethyl)-
CAS Number:
161622-14-6
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD08459288
IUPAC Name:
4-bromo-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
GPBPFDPENZHCPR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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