Home Carboxys 4-(Trifluoromethyl)pyrimidine-5-carboxylic acid

4-(Trifluoromethyl)pyrimidine-5-carboxylic acid

CAS No.:
220880-12-6
Catalog Number:
AG00386G
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$578
- +
1g
95%
In Stock USA
United States
$1450
- +
Product Description
Catalog Number:
AG00386G
Chemical Name:
4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
CAS Number:
220880-12-6
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD11106713
IUPAC Name:
4-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)1-10-2-11-4/h1-2H,(H,12,13)
InChI Key:
OQHVVOYDDRBQRI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncnc1C(F)(F)F
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.097g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties