Home Halogens Benzoic acid, 4-bromo-3-methoxy-2-methyl-, methyl ester

Benzoic acid, 4-bromo-3-methoxy-2-methyl-, methyl ester

CAS No.:
1149388-20-4
Catalog Number:
AG000FGZ
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
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Product Description
Catalog Number:
AG000FGZ
Chemical Name:
Benzoic acid, 4-bromo-3-methoxy-2-methyl-, methyl ester
CAS Number:
1149388-20-4
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD16658635
IUPAC Name:
methyl 4-bromo-3-methoxy-2-methylbenzoate
InChI:
InChI=1S/C10H11BrO3/c1-6-7(10(12)14-3)4-5-8(11)9(6)13-2/h4-5H,1-3H3
InChI Key:
DPPPRTUMXZNOTJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)OC)Br
Properties
Complexity:
208  
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:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties