Home Halogens 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-5-carboxylic acid

2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-5-carboxylic acid

CAS No.:
736971-46-3
Catalog Number:
AG01C4S5
Molecular Formula:
C11H7Cl2NO2S
Molecular Weight:
288.1498
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Product Description
Catalog Number:
AG01C4S5
Chemical Name:
2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
CAS Number:
736971-46-3
Molecular Formula:
C11H7Cl2NO2S
Molecular Weight:
288.1498
MDL Number:
MFCD16239577
IUPAC Name:
2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H7Cl2NO2S/c12-7-2-1-3-8(13)6(7)4-10-14-5-9(17-10)11(15)16/h1-3,5H,4H2,(H,15,16)
InChI Key:
UGOMIYAMZROFKH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1Cc1ncc(s1)C(=O)O)Cl
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.957g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.142g/mol
Monoisotopic Mass:
286.957g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties