Home Halogens Benzoic acid, 5-bromo-2,3,4-trifluoro-

Benzoic acid, 5-bromo-2,3,4-trifluoro-

CAS No.:
212631-85-1
Catalog Number:
AG007OKP
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
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Product Description
Catalog Number:
AG007OKP
Chemical Name:
Benzoic acid, 5-bromo-2,3,4-trifluoro-
CAS Number:
212631-85-1
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
MDL Number:
MFCD12756771
IUPAC Name:
5-bromo-2,3,4-trifluorobenzoic acid
InChI:
InChI=1S/C7H2BrF3O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChI Key:
XQIATTAAVBLNAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(c(c1F)F)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  
Properties