Home Other Building Blocks 3-CYANO-2,6-DIHYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE DIHYDRATE

3-CYANO-2,6-DIHYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE DIHYDRATE

CAS No.:
1049729-56-7
Catalog Number:
AG008RR7
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008RR7
Chemical Name:
3-CYANO-2,6-DIHYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE DIHYDRATE
CAS Number:
1049729-56-7
MDL Number:
MFCD07368671
IUPAC Name:
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;dihydrate
InChI:
InChI=1S/C7H3F3N2O2.2H2O/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11;;/h1H,(H2,12,13,14);2*1H2
InChI Key:
QRYPSVHSUBAFFY-UHFFFAOYSA-N
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
240.138g/mol
Monoisotopic Mass:
240.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties