Home Halogens 3-amino-6-bromo-2-fluorobenzoic acid

3-amino-6-bromo-2-fluorobenzoic acid

CAS No.:
1516801-51-6
Catalog Number:
AG01DVHU
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
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Product Description
Catalog Number:
AG01DVHU
Chemical Name:
3-amino-6-bromo-2-fluorobenzoic acid
CAS Number:
1516801-51-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD31617644
IUPAC Name:
3-amino-6-bromo-2-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
TUBIQSWDMJFTST-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)ccc(c1F)N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties