Home Halogens ethyl 2-amino-5-bromo-3-fluorobenzoate

ethyl 2-amino-5-bromo-3-fluorobenzoate

CAS No.:
1183479-43-7
Catalog Number:
AG01AHG7
Molecular Formula:
C9H9BrFNO2
Molecular Weight:
262.0757
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Product Description
Catalog Number:
AG01AHG7
Chemical Name:
ethyl 2-amino-5-bromo-3-fluorobenzoate
CAS Number:
1183479-43-7
Molecular Formula:
C9H9BrFNO2
Molecular Weight:
262.0757
MDL Number:
MFCD12159874
IUPAC Name:
ethyl 2-amino-5-bromo-3-fluorobenzoate
InChI:
InChI=1S/C9H9BrFNO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3
InChI Key:
JMCYTJBMIXYMNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc(c1N)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.078g/mol
Monoisotopic Mass:
260.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties