200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1261862-72-9
1261862-72-9 | Benzeneacetic acid, 3-bromo-2-methyl-, ethyl ester
CAS No: 1261862-72-9 Catalog No: AG000S2D MDL No:MFCD18395994
Product Description
Catalog Number:
AG000S2D
Chemical Name:
Benzeneacetic acid, 3-bromo-2-methyl-, ethyl ester
CAS Number:
1261862-72-9
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD18395994
IUPAC Name:
ethyl 2-(3-bromo-2-methylphenyl)acetate
InChI:
InChI=1S/C11H13BrO2/c1-3-14-11(13)7-9-5-4-6-10(12)8(9)2/h4-6H,3,7H2,1-2H3
InChI Key:
XNNADSVIJHLPHG-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=O)OCC)cccc1Br
Properties
Complexity:
194
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.