Home Carboxys 2-(difluoromethyl)-1,3-benzothiazole-7-carboxylic acid

2-(difluoromethyl)-1,3-benzothiazole-7-carboxylic acid

CAS No.:
1780314-31-9
Catalog Number:
AG01DYW3
Molecular Formula:
C9H5F2NO2S
Molecular Weight:
229.2033
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DYW3
Chemical Name:
2-(difluoromethyl)-1,3-benzothiazole-7-carboxylic acid
CAS Number:
1780314-31-9
Molecular Formula:
C9H5F2NO2S
Molecular Weight:
229.2033
MDL Number:
MFCD28533318
IUPAC Name:
2-(difluoromethyl)-1,3-benzothiazole-7-carboxylic acid
InChI:
InChI=1S/C9H5F2NO2S/c10-7(11)8-12-5-3-1-2-4(9(13)14)6(5)15-8/h1-3,7H,(H,13,14)
InChI Key:
IFBJKRVQKFGLJM-UHFFFAOYSA-N
SMILES:
FC(c1nc2c(s1)c(ccc2)C(=O)O)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.201g/mol
Monoisotopic Mass:
229.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties