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Home Halogens Methyl 4-amino-3-bromo-5-fluorobenzoate

Methyl 4-amino-3-bromo-5-fluorobenzoate

CAS No.:
1123171-91-4
Catalog Number:
AG007BFU
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$282
- +
10g
95%
In Stock USA
United States
$494
- +
25g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG007BFU
Chemical Name:
Methyl 4-amino-3-bromo-5-fluorobenzoate
CAS Number:
1123171-91-4
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD11846084
IUPAC Name:
methyl 4-amino-3-bromo-5-fluorobenzoate
InChI:
InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:
RDASOBRMXWNFNB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)Br)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