Home Halogens 2-Amino-6-bromo-5-fluoro-3-methylbenzoic Acid

2-Amino-6-bromo-5-fluoro-3-methylbenzoic Acid

CAS No.:
1694614-97-5
Catalog Number:
AG00HZBE
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
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Product Description
Catalog Number:
AG00HZBE
Chemical Name:
2-Amino-6-bromo-5-fluoro-3-methylbenzoic Acid
CAS Number:
1694614-97-5
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD28977408
IUPAC Name:
2-amino-6-bromo-5-fluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H7BrFNO2/c1-3-2-4(10)6(9)5(7(3)11)8(12)13/h2H,11H2,1H3,(H,12,13)
InChI Key:
KANXKEQBAPAEAX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)c(C)cc(c1Br)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:
246.964g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.051g/mol
Monoisotopic Mass:
246.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties