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

methyl 3-bromo-2,4-difluorobenzoate

CAS No.:
935534-49-9
Catalog Number:
AG00IHNY
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
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Product Description
Catalog Number:
AG00IHNY
Chemical Name:
methyl 3-bromo-2,4-difluorobenzoate
CAS Number:
935534-49-9
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD09261258
IUPAC Name:
methyl 3-bromo-2,4-difluorobenzoate
InChI:
InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3H,1H3
InChI Key:
SKRVCQHKXUICKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1F)Br)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:
2.6  
Properties