Home Halogens 2-bromo-5-chloro-4-fluorobenzoic acid

2-bromo-5-chloro-4-fluorobenzoic acid

CAS No.:
1519109-81-9
Catalog Number:
AG01BCT1
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
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Product Description
Catalog Number:
AG01BCT1
Chemical Name:
2-bromo-5-chloro-4-fluorobenzoic acid
CAS Number:
1519109-81-9
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
MDL Number:
MFCD24108577
IUPAC Name:
2-bromo-5-chloro-4-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
JLSKSLOMXATFGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1Br)F
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.899g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.451g/mol
Monoisotopic Mass:
251.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties