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853784-21-1 | 3-(Trifluoromethyl);-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CAS No: 853784-21-1 Catalog No: AG004OXL MDL No:MFCD11042747
Product Description
Catalog Number:
AG004OXL
Chemical Name:
3-(Trifluoromethyl);-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CAS Number:
853784-21-1
Molecular Formula:
C7H8F3N3
Molecular Weight:
191.1537
MDL Number:
MFCD11042747
IUPAC Name:
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
InChI:
InChI=1S/C7H8F3N3/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6/h11H,1-3H2,(H,12,13)
InChI Key:
USWUQQKHXVZMAO-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]c2c1CCNC2)(F)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.157g/mol
Monoisotopic Mass:
191.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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