200,000+ products from a single source!
sales@angenechem.com
89296-79-7 | Pentanoic acid, 3-ethyl-, 1-chloroethyl ester
CAS No: 89296-79-7 Catalog No: AG003ZV6 MDL No:
Product Description
Catalog Number:
AG003ZV6
Chemical Name:
Pentanoic acid, 3-ethyl-, 1-chloroethyl ester
CAS Number:
89296-79-7
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
IUPAC Name:
1-chloroethyl 3-ethylpentanoate
InChI:
InChI=1S/C9H17ClO2/c1-4-8(5-2)6-9(11)12-7(3)10/h7-8H,4-6H2,1-3H3
InChI Key:
ZDQZJLOMXANKQL-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)OC(Cl)C)CC
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.