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1379295-67-6 | 3-Chloro-2-methylphenethyl acetate
CAS No: 1379295-67-6 Catalog No: AG01FE6B MDL No:
Product Description
Catalog Number:
AG01FE6B
Chemical Name:
3-Chloro-2-methylphenethyl acetate
CAS Number:
1379295-67-6
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
2-(3-chloro-2-methylphenyl)ethyl acetate
InChI:
InChI=1S/C11H13ClO2/c1-8-10(4-3-5-11(8)12)6-7-14-9(2)13/h3-5H,6-7H2,1-2H3
InChI Key:
BCPSKUPWGWIRJO-UHFFFAOYSA-N
SMILES:
Cc1c(CCOC(=O)C)cccc1Cl
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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