Home Halogens methyl 3-bromo-2,4,6-trimethylbenzoate

methyl 3-bromo-2,4,6-trimethylbenzoate

CAS No.:
26584-20-3
Catalog Number:
AG01B7G8
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01B7G8
Chemical Name:
methyl 3-bromo-2,4,6-trimethylbenzoate
CAS Number:
26584-20-3
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD00184978
IUPAC Name:
methyl 3-bromo-2,4,6-trimethylbenzoate
InChI:
InChI=1S/C11H13BrO2/c1-6-5-7(2)10(12)8(3)9(6)11(13)14-4/h5H,1-4H3
InChI Key:
YUFSUAINJIKSAG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1C)Br)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties