AG00IE1C

863774-22-5 | 2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde

AG00IE1C

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CAS Number	863774-22-5
Catalog Number	AG00IE1C(AGN-PC-0D501H)
Chemical Name	2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
IUPAC Name	2-amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
InChI	InChI=1S/C6H4F3N3O/c7-6(8,9)4-3(2-13)1-11-5(10)12-4/h1-2H,(H2,10,11,12)
InChI Key	UEYUFRGXJMIMFX-UHFFFAOYSA-N
MDL Number	MFCD13193531
Molecular Formula	C6H4F3N3O
Molecular Weight	191.1107
SMILES	O=CC1=CN=C(N)N=C1C(F)(F)F
Synonyms	2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde, 863774-22-5, AK-31384, 5-Pyrimidinecarboxaldehyde, 2-amino-4-(trifluoromethyl)-, SCHEMBL4888975, KS-00000OBS, DTXSID80733107, UEYUFRGXJMIMFX-UHFFFAOYSA-N, MFCD13193531, ZINC95830918, FCH1142964, DS-11984, AJ-135057, AX8208309, 2-Amino-4-trifluoromethyl-pyrimidine-5-carbaldehyde,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.113g/mol
Monoisotopic Mass	191.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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