Home Halogens Methyl 3-bromo-2,6-difluorobenzoate

Methyl 3-bromo-2,6-difluorobenzoate

CAS No.:
1378875-92-3
Catalog Number:
AG00140S
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
1 week
United States
$121
- +
1g
99%
1 week
United States
$205
- +
5g
99%
1 week
United States
$705
- +
25g
99%
1 week
United States
$2531
- +
Product Description
Catalog Number:
AG00140S
Chemical Name:
Methyl 3-bromo-2,6-difluorobenzoate
CAS Number:
1378875-92-3
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD09951948
IUPAC Name:
methyl 3-bromo-2,6-difluorobenzoate
InChI:
InChI=1S/C8H5BrF2O2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3
InChI Key:
FDVRSJQCIUFAKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1F)Br
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.944g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.027g/mol
Monoisotopic Mass:
249.944g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties