AG0003E3

100991-09-1 | 5-Pyrimidinol, 2-(trifluoromethyl)-

AG0003E3

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	100991-09-1
Catalog Number	AG0003E3(AGN-PC-00N79R)
Chemical Name	5-Pyrimidinol, 2-(trifluoromethyl)-
IUPAC Name	2-(trifluoromethyl)pyrimidin-5-ol
InChI	InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H
InChI Key	QPAXXIOBBIIATH-UHFFFAOYSA-N
MDL Number	MFCD10696944
Molecular Formula	C5H3F3N2O
Molecular Weight	164.0853
SMILES	OC1=CN=C(C(F)(F)F)N=C1
Synonyms	2-(Trifluoromethyl)pyrimidin-5-ol, 100991-09-1, 5-Pyrimidinol, 2-(trifluoromethyl)-, 5-Pyrimidinol,2-(trifluoromethyl)-, 2-Trifluoromethyl-5-Hydroxy Pyrimidine, 2-TRIFLUOROMETHYL-PYRIMIDIN-5-OL, 2-(TRIFLUOROMETHYL)-5-PYRIMIDINOL, SCHEMBL876534, ACMC-20m413, CTK3J9420, DTXSID10544541, QPAXXIOBBIIATH-UHFFFAOYSA-N, 2-(trifluoromethyl)pyrimidin-5-oI, KS-00000N9E, MFCD10696944, ZINC91689897, AKOS006305068, AB58591, CS-W006254, FS-3750, MP-1332, 5-Hydroxy-2-(trifluoromethyl)pyrimidine, AJ-86949, AK112588, SC-30317, ST2416286, 4CH-015338, X7948, C5H3F3N2O, 2-Trifluoromethyl-5-Hydroxypyrimidine, ACN-027399,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.087g/mol
Monoisotopic Mass	164.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number