Home Halogens Methyl 2-bromo-3,4-difluorobenzoate

Methyl 2-bromo-3,4-difluorobenzoate

CAS No.:
1805523-36-7
Catalog Number:
AG00I03Z
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$287
- +
5g
98%
In Stock USA
United States
$969
- +
Product Description
Catalog Number:
AG00I03Z
Chemical Name:
Methyl 2-bromo-3,4-difluorobenzoate
CAS Number:
1805523-36-7
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD22490610
IUPAC Name:
methyl 2-bromo-3,4-difluorobenzoate
InChI:
InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-3-5(10)7(11)6(4)9/h2-3H,1H3
InChI Key:
VZZHRHDBHLFPBY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1Br)F)F
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