200,000+ products from a single source!
sales@angenechem.com
143769-03-3 | 2-Butenoic acid, 3-methyl-, 3-bromophenyl ester
CAS No: 143769-03-3 Catalog No: AG001IBW MDL No:
Product Description
Catalog Number:
AG001IBW
Chemical Name:
2-Butenoic acid, 3-methyl-, 3-bromophenyl ester
CAS Number:
143769-03-3
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
(3-bromophenyl) 3-methylbut-2-enoate
InChI:
InChI=1S/C11H11BrO2/c1-8(2)6-11(13)14-10-5-3-4-9(12)7-10/h3-7H,1-2H3
InChI Key:
QBNRQBGHQMOBOC-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)Oc1cccc(c1)Br)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.