Home Halogens 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid

5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid

CAS No.:
1368489-92-2
Catalog Number:
AG01A1AO
Molecular Formula:
C8H4ClNO3S
Molecular Weight:
229.6403
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Product Description
Catalog Number:
AG01A1AO
Chemical Name:
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CAS Number:
1368489-92-2
Molecular Formula:
C8H4ClNO3S
Molecular Weight:
229.6403
MDL Number:
MFCD21888796
IUPAC Name:
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H4ClNO3S/c9-6-2-1-5(14-6)7-4(8(11)12)3-10-13-7/h1-3H,(H,11,12)
InChI Key:
ZSTCCJSOOXRQSR-UHFFFAOYSA-N
SMILES:
Clc1ccc(s1)c1oncc1C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.96g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.634g/mol
Monoisotopic Mass:
228.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties