Home Halogens 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid

CAS No.:
1152605-21-4
Catalog Number:
AG019XDT
Molecular Formula:
C9H6ClNO2S2
Molecular Weight:
259.7324
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Product Description
Catalog Number:
AG019XDT
Chemical Name:
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
1152605-21-4
Molecular Formula:
C9H6ClNO2S2
Molecular Weight:
259.7324
MDL Number:
MFCD11102968
IUPAC Name:
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H6ClNO2S2/c10-7-2-1-6(15-7)9-11-5(4-14-9)3-8(12)13/h1-2,4H,3H2,(H,12,13)
InChI Key:
VDXCPXOXILZYNC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1ccc(s1)Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.953g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.722g/mol
Monoisotopic Mass:
258.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties