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1022931-73-2 | 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1022931-73-2 Catalog No: AG00074R MDL No:MFCD11044975
Product Description
Catalog Number:
AG00074R
Chemical Name:
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1022931-73-2
Molecular Formula:
C12H16F3N3O2
Molecular Weight:
291.2695
MDL Number:
MFCD11044975
IUPAC Name:
tert-butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-8-7(6-18)9(17-16-8)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
InChI Key:
MQTQWJKOXQOZDC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(n[nH]2)C(F)(F)F)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:
291.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.274g/mol
Monoisotopic Mass:
291.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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