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1329996-72-6 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2-(2-fluoro-2-methylpropyl)-2,6-dihydro-, 1,1-dimethylethyl ester
CAS No: 1329996-72-6 Catalog No: AG0011H2 MDL No:
Product Description
Catalog Number:
AG0011H2
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2-(2-fluoro-2-methylpropyl)-2,6-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1329996-72-6
Molecular Formula:
C14H22FN3O2
Molecular Weight:
283.3418
IUPAC Name:
tert-butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C14H22FN3O2/c1-13(2,3)20-12(19)17-6-10-7-18(9-14(4,5)15)16-11(10)8-17/h7H,6,8-9H2,1-5H3
InChI Key:
DHZZCNSAZVPLJU-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cn(n2)CC(F)(C)C)OC(C)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.347g/mol
Monoisotopic Mass:
283.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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