Home Halogens methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate

methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate

CAS No.:
479578-92-2
Catalog Number:
AG019RZ8
Molecular Formula:
C12H10ClNO2S
Molecular Weight:
267.7313
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Product Description
Catalog Number:
AG019RZ8
Chemical Name:
methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate
CAS Number:
479578-92-2
Molecular Formula:
C12H10ClNO2S
Molecular Weight:
267.7313
MDL Number:
MFCD20441716
IUPAC Name:
methyl 3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate
InChI:
InChI=1S/C12H10ClNO2S/c1-16-12(15)9-4-2-3-8(5-9)11-14-10(6-13)7-17-11/h2-5,7H,6H2,1H3
InChI Key:
YCCFIKOHZRMYER-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1scc(n1)CCl
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.727g/mol
Monoisotopic Mass:
267.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties