200,000+ products from a single source!
sales@angenechem.com
72939-47-0 | Acetic acid, chloro-, 1-phenylethyl ester
CAS No: 72939-47-0 Catalog No: AG005D1R MDL No:
Product Description
Catalog Number:
AG005D1R
Chemical Name:
Acetic acid, chloro-, 1-phenylethyl ester
CAS Number:
72939-47-0
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
1-phenylethyl 2-chloroacetate
InChI:
InChI=1S/C10H11ClO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
WLNYYBUZSZGLBC-UHFFFAOYSA-N
SMILES:
ClCC(=O)OC(c1ccccc1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.