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643094-18-2 | Benzoic acid, 4-bromo-2-(2-methylpropyl)-, methyl ester
CAS No: 643094-18-2 Catalog No: AG01F7UA MDL No:
Product Description
Catalog Number:
AG01F7UA
Chemical Name:
Benzoic acid, 4-bromo-2-(2-methylpropyl)-, methyl ester
CAS Number:
643094-18-2
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
methyl 4-bromo-2-(2-methylpropyl)benzoate
InChI:
InChI=1S/C12H15BrO2/c1-8(2)6-9-7-10(13)4-5-11(9)12(14)15-3/h4-5,7-8H,6H2,1-3H3
InChI Key:
RAERTAKCTCJYLK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1CC(C)C)Br
Properties
Complexity:
216
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:
4.1
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