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Home > Bromides > 1160573-12-5
1160573-12-5 | 3-Bromo-2,4,6-trifluorobenzoic acid
CAS No: 1160573-12-5 Catalog No: AG01FDQ4 MDL No:MFCD11845968
Product Description
Catalog Number:
AG01FDQ4
Chemical Name:
3-Bromo-2,4,6-trifluorobenzoic acid
CAS Number:
1160573-12-5
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
MDL Number:
MFCD11845968
IUPAC Name:
3-bromo-2,4,6-trifluorobenzoic acid
InChI:
InChI=1S/C7H2BrF3O2/c8-5-3(10)1-2(9)4(6(5)11)7(12)13/h1H,(H,12,13)
InChI Key:
NLGBQBSWIXCBQZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(c(c1F)Br)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.99g/mol
Monoisotopic Mass:
253.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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