Home Halogens methyl 4-chloro-2-(propan-2-yl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(propan-2-yl)-1,3-thiazole-5-carboxylate

CAS No.:
1501132-92-8
Catalog Number:
AG01BBZR
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
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Product Description
Catalog Number:
AG01BBZR
Chemical Name:
methyl 4-chloro-2-(propan-2-yl)-1,3-thiazole-5-carboxylate
CAS Number:
1501132-92-8
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
MDL Number:
MFCD21790510
IUPAC Name:
methyl 4-chloro-2-propan-2-yl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C8H10ClNO2S/c1-4(2)7-10-6(9)5(13-7)8(11)12-3/h4H,1-3H3
InChI Key:
TXRCYOWKQPQXFD-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Cl)C(C)C
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties