Home Halogens methyl 2-amino-5-bromo-3,6-difluorobenzoate

methyl 2-amino-5-bromo-3,6-difluorobenzoate

CAS No.:
1549848-11-4
Catalog Number:
AG01BA94
Molecular Formula:
C8H6BrF2NO2
Molecular Weight:
266.0395
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Product Description
Catalog Number:
AG01BA94
Chemical Name:
methyl 2-amino-5-bromo-3,6-difluorobenzoate
CAS Number:
1549848-11-4
Molecular Formula:
C8H6BrF2NO2
Molecular Weight:
266.0395
MDL Number:
MFCD24230476
IUPAC Name:
methyl 2-amino-5-bromo-3,6-difluorobenzoate
InChI:
InChI=1S/C8H6BrF2NO2/c1-14-8(13)5-6(11)3(9)2-4(10)7(5)12/h2H,12H2,1H3
InChI Key:
QUTQGKPOWZUBEG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)c(F)cc(c1F)Br
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.955g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.042g/mol
Monoisotopic Mass:
264.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties