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

methyl 3-amino-2-bromo-5-fluorobenzoate

CAS No.:
1342063-52-8
Catalog Number:
AG009WKH
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
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Product Description
Catalog Number:
AG009WKH
Chemical Name:
methyl 3-amino-2-bromo-5-fluorobenzoate
CAS Number:
1342063-52-8
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD17276516
IUPAC Name:
methyl 3-amino-2-bromo-5-fluorobenzoate
InChI:
InChI=1S/C8H7BrFNO2/c1-13-8(12)5-2-4(10)3-6(11)7(5)9/h2-3H,11H2,1H3
InChI Key:
RHDPQYAIQSOALR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1Br)N
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:
1.9  
Properties