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210491-38-6 | Benzoic acid, 4-bromo-2,6-bis(trifluoromethyl)-
CAS No: 210491-38-6 Catalog No: AG002KT3 MDL No:MFCD13181613
Product Description
Catalog Number:
AG002KT3
Chemical Name:
Benzoic acid, 4-bromo-2,6-bis(trifluoromethyl)-
CAS Number:
210491-38-6
Molecular Formula:
C9H3BrF6O2
Molecular Weight:
337.0133
MDL Number:
MFCD13181613
IUPAC Name:
4-bromo-2,6-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H3BrF6O2/c10-3-1-4(8(11,12)13)6(7(17)18)5(2-3)9(14,15)16/h1-2H,(H,17,18)
InChI Key:
ISXFFWSLEJLRHB-UHFFFAOYSA-N
SMILES:
Brc1cc(c(c(c1)C(F)(F)F)C(=O)O)C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.922g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.015g/mol
Monoisotopic Mass:
335.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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