Home Halogens Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester

Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester

CAS No.:
203805-73-6
Catalog Number:
AG002953
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
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Product Description
Catalog Number:
AG002953
Chemical Name:
Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester
CAS Number:
203805-73-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD18398827
IUPAC Name:
methyl 2-(4-bromo-3-methoxyphenyl)acetate
InChI:
InChI=1S/C10H11BrO3/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5H,6H2,1-2H3
InChI Key:
DAZRTRFZLABWKE-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)OC)Br
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties