Home Halogens Ethyl 3-bromo-4-fluorobenzoate

Ethyl 3-bromo-4-fluorobenzoate

CAS No.:
23233-33-2
Catalog Number:
AG002MMC
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
≥95%
In Stock USA
United States
$225
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Product Description
Catalog Number:
AG002MMC
Chemical Name:
Ethyl 3-bromo-4-fluorobenzoate
CAS Number:
23233-33-2
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD06204378
IUPAC Name:
ethyl 3-bromo-4-fluorobenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI Key:
FDVAAQDTTZNHKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)F
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties