Home Carboxys methyl 2-benzyl-1,3-thiazole-5-carboxylate

methyl 2-benzyl-1,3-thiazole-5-carboxylate

CAS No.:
1208081-28-0
Catalog Number:
AG01AC6A
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG01AC6A
Chemical Name:
methyl 2-benzyl-1,3-thiazole-5-carboxylate
CAS Number:
1208081-28-0
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD15142842
IUPAC Name:
methyl 2-benzyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H11NO2S/c1-15-12(14)10-8-13-11(16-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
OUGMYGHEKUAAKG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)Cc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties