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Home Carboxys 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate

2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate

CAS No.:
1559059-84-5
Catalog Number:
AG00J2ZU
Molecular Formula:
C11H8F3NO3S
Molecular Weight:
291.2463
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J2ZU
Chemical Name:
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate
CAS Number:
1559059-84-5
Molecular Formula:
C11H8F3NO3S
Molecular Weight:
291.2463
MDL Number:
MFCD05865138
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrate
InChI:
InChI=1S/C11H6F3NO2S.H2O/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17;/h1-5H,(H,16,17);1H2
InChI Key:
NYMMKWJXRDAUSN-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F.O
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.018g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.244g/mol
Monoisotopic Mass:
291.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties