CAS
90526-08-2 Purity
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90526-08-2 Purity
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tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CAS
905274-03-5
Catalog Number
ACM905274035
Category
Other Products
Molecular Weight
289.25
Molecular Formula
C12H14F3N3O2
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Specification
Synonyms
TERT-BUTYL 2-(TRIFLUOROMETHYL)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE, AG-H-71452, 905274-03-5, PubChem23142, SureCN3873146, CTK5G8053, AKOS015852814, AK-50229
IUPAC Name
tert-butyl 2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI Key
SPRDJMPEIQNRNF-UHFFFAOYSA-N
Boiling Point
301.8ºC at 760 mmHg
Flash Point
136.4ºC
Density
1.334g/cm³
Exact Mass
289.10400
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The molecular formula is C12H14F3N3O2.
When was tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate created?
It was created on June 21, 2011.
What is the IUPAC name of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The IUPAC name is tert-butyl 2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate.
What is the InChI of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The InChI is InChI=1S/C12H14F3N3O2/c1-11(2,3)20-10(19)18-5-7-4-16-9(12(13,14)15)17-8(7)6-18/h4H,5-6H2,1-3H3.
What is the InChIKey of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The InChIKey is SPRDJMPEIQNRNF-UHFFFAOYSA-N.
What is the canonical SMILES of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The canonical SMILES is CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)C(F)(F)F.
What is the molecular weight of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The molecular weight is 289.25 g/mol.
What is the XLogP3-AA value of tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
The XLogP3-AA value is 1.4.
How many hydrogen bond donor counts are there in tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in tert-Butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate?
There are 7 hydrogen bond acceptor counts.
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CAS
905274-04-6 Purity
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905274-04-6 Purity
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