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Home > Bromides > 1226228-17-6
1226228-17-6 | Benzeneacetic acid, 4-bromo-α-ethyl-, methyl ester
CAS No: 1226228-17-6 Catalog No: AG0017JY MDL No:MFCD16330769
Product Description
Catalog Number:
AG0017JY
Chemical Name:
Benzeneacetic acid, 4-bromo-α-ethyl-, methyl ester
CAS Number:
1226228-17-6
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD16330769
IUPAC Name:
methyl 2-(4-bromophenyl)butanoate
InChI:
InChI=1S/C11H13BrO2/c1-3-10(11(13)14-2)8-4-6-9(12)7-5-8/h4-7,10H,3H2,1-2H3
InChI Key:
GWQJIGZBUABKCY-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Br)C(=O)OC
Properties
Complexity:
186
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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