200,000+ products from a single source!
sales@angenechem.com
89768-00-3 | Benzeneacetic acid, 2-chloro-, butyl ester
CAS No: 89768-00-3 Catalog No: AG003YOR MDL No:
Product Description
Catalog Number:
AG003YOR
Chemical Name:
Benzeneacetic acid, 2-chloro-, butyl ester
CAS Number:
89768-00-3
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
butyl 2-(2-chlorophenyl)acetate
InChI:
InChI=1S/C12H15ClO2/c1-2-3-8-15-12(14)9-10-6-4-5-7-11(10)13/h4-7H,2-3,8-9H2,1H3
InChI Key:
KXQXIADAVPCVAB-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cc1ccccc1Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.