Home Carboxys 3-Chloro-4-cyano-1,2-thiazole-5-carboxylic acid

3-Chloro-4-cyano-1,2-thiazole-5-carboxylic acid

CAS No.:
269400-52-4
Catalog Number:
AG01F2RN
Molecular Formula:
C5HClN2O2S
Molecular Weight:
188.5916
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
tech
1 week
United States
$378
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Product Description
Catalog Number:
AG01F2RN
Chemical Name:
3-Chloro-4-cyano-1,2-thiazole-5-carboxylic acid
CAS Number:
269400-52-4
Molecular Formula:
C5HClN2O2S
Molecular Weight:
188.5916
MDL Number:
MFCD20659938
IUPAC Name:
3-chloro-4-cyano-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5HClN2O2S/c6-4-2(1-7)3(5(9)10)11-8-4/h(H,9,10)
InChI Key:
OTGSSAYMYNTUSI-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nsc1C(=O)O
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.585g/mol
Monoisotopic Mass:
187.945g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties