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1260805-14-8 | Butanoic acid, 3-methyl-, 3-(chloromethyl)phenyl ester
CAS No: 1260805-14-8 Catalog No: AG000RC4 MDL No:
Product Description
Catalog Number:
AG000RC4
Chemical Name:
Butanoic acid, 3-methyl-, 3-(chloromethyl)phenyl ester
CAS Number:
1260805-14-8
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
[3-(chloromethyl)phenyl] 3-methylbutanoate
InChI:
InChI=1S/C12H15ClO2/c1-9(2)6-12(14)15-11-5-3-4-10(7-11)8-13/h3-5,7,9H,6,8H2,1-2H3
InChI Key:
MUICNBPGWMELGY-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)OC(=O)CC(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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