Home Halogens Methyl 2-amino-4-bromo-6-fluorobenzoate

Methyl 2-amino-4-bromo-6-fluorobenzoate

CAS No.:
1698028-23-7
Catalog Number:
AG00HZCI
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
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Product Description
Catalog Number:
AG00HZCI
Chemical Name:
Methyl 2-amino-4-bromo-6-fluorobenzoate
CAS Number:
1698028-23-7
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD28657035
IUPAC Name:
methyl 2-amino-4-bromo-6-fluorobenzoate
InChI:
InChI=1S/C8H7BrFNO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,11H2,1H3
InChI Key:
RBMIFLUDJHVUDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)cc(cc1F)Br
Properties
Complexity:
203  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
248.051g/mol
Monoisotopic Mass:
246.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties