Home Halogens 4-bromo-3-fluoro-2-methoxybenzoic acid methyl ester

4-bromo-3-fluoro-2-methoxybenzoic acid methyl ester

CAS No.:
1427423-36-6
Catalog Number:
AG01DYRD
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
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Product Description
Catalog Number:
AG01DYRD
Chemical Name:
4-bromo-3-fluoro-2-methoxybenzoic acid methyl ester
CAS Number:
1427423-36-6
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
MDL Number:
MFCD23707519
IUPAC Name:
methyl 4-bromo-3-fluoro-2-methoxybenzoate
InChI:
InChI=1S/C9H8BrFO3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,1-2H3
InChI Key:
FYPUAXRUPIAFCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1OC)F)Br
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.062g/mol
Monoisotopic Mass:
261.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties