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1379334-67-4 | 3-Chloro-4-methylphenethyl acetate
CAS No: 1379334-67-4 Catalog No: AG01FE6I MDL No:
Product Description
Catalog Number:
AG01FE6I
Chemical Name:
3-Chloro-4-methylphenethyl acetate
CAS Number:
1379334-67-4
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
2-(3-chloro-4-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H13ClO2/c1-8-3-4-10(7-11(8)12)5-6-14-9(2)13/h3-4,7H,5-6H2,1-2H3
InChI Key:
DFWIWKUXLVLKML-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1ccc(c(c1)Cl)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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