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827324-21-0 | Benzoic acid, 2-[(2,4-dimethyl-5-thiazolyl)methyl]-, methyl ester
CAS No: 827324-21-0 Catalog No: AG00586R MDL No:
Product Description
Catalog Number:
AG00586R
Chemical Name:
Benzoic acid, 2-[(2,4-dimethyl-5-thiazolyl)methyl]-, methyl ester
CAS Number:
827324-21-0
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
methyl 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]benzoate
InChI:
InChI=1S/C14H15NO2S/c1-9-13(18-10(2)15-9)8-11-6-4-5-7-12(11)14(16)17-3/h4-7H,8H2,1-3H3
InChI Key:
YVCZERUKLMNIDY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1Cc1sc(nc1C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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