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181300-41-4 | (4-Bromo-2-ethyl-6-methyl-phenyl)-acetic acid methyl ester
CAS No: 181300-41-4 Catalog No: AG01EUF2 MDL No:
Product Description
Catalog Number:
AG01EUF2
Chemical Name:
(4-Bromo-2-ethyl-6-methyl-phenyl)-acetic acid methyl ester
CAS Number:
181300-41-4
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
methyl 2-(4-bromo-2-ethyl-6-methylphenyl)acetate
InChI:
InChI=1S/C12H15BrO2/c1-4-9-6-10(13)5-8(2)11(9)7-12(14)15-3/h5-6H,4,7H2,1-3H3
InChI Key:
NQUSKLTVFFEVAL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(C)cc(cc1CC)Br
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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