Home Halogens Methyl 5-bromo-2-methoxy-4-methylbenzoate

Methyl 5-bromo-2-methoxy-4-methylbenzoate

CAS No.:
39503-58-7
Catalog Number:
AG00CJGW
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
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Product Description
Catalog Number:
AG00CJGW
Chemical Name:
Methyl 5-bromo-2-methoxy-4-methylbenzoate
CAS Number:
39503-58-7
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD11045603
IUPAC Name:
methyl 5-bromo-2-methoxy-4-methylbenzoate
InChI:
InChI=1S/C10H11BrO3/c1-6-4-9(13-2)7(5-8(6)11)10(12)14-3/h4-5H,1-3H3
InChI Key:
DIQFMWHELJHNFZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1OC)C
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