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1260854-47-4 | Propanoic acid, 2-methyl-, 4-(chloromethyl)phenyl ester
CAS No: 1260854-47-4 Catalog No: AG000RG1 MDL No:MFCD11616915
Product Description
Catalog Number:
AG000RG1
Chemical Name:
Propanoic acid, 2-methyl-, 4-(chloromethyl)phenyl ester
CAS Number:
1260854-47-4
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD11616915
IUPAC Name:
[4-(chloromethyl)phenyl] 2-methylpropanoate
InChI:
InChI=1S/C11H13ClO2/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
WWDNAJZWTNIHGH-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)OC(=O)C(C)C
Properties
Complexity:
184
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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