200,000+ products from a single source!
sales@angenechem.com
820238-96-8 | Benzoic acid, 2,4-dichloro-, hexyl ester
CAS No: 820238-96-8 Catalog No: AG004Y6I MDL No:
Product Description
Catalog Number:
AG004Y6I
Chemical Name:
Benzoic acid, 2,4-dichloro-, hexyl ester
CAS Number:
820238-96-8
Molecular Formula:
C13H16Cl2O2
Molecular Weight:
275.1709
IUPAC Name:
hexyl 2,4-dichlorobenzoate
InChI:
InChI=1S/C13H16Cl2O2/c1-2-3-4-5-8-17-13(16)11-7-6-10(14)9-12(11)15/h6-7,9H,2-5,8H2,1H3
InChI Key:
AZZVFOYBSREIAA-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.169g/mol
Monoisotopic Mass:
274.053g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.