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1211534-85-8 | 1-[6-(Trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CAS No: 1211534-85-8 Catalog No: AG01EQZW MDL No:
Product Description
Catalog Number:
AG01EQZW
Chemical Name:
1-[6-(Trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CAS Number:
1211534-85-8
Molecular Formula:
C11H12F3N3O2
Molecular Weight:
275.2271
IUPAC Name:
1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(16-15-8)17-5-3-7(4-6-17)10(18)19/h1-2,7H,3-6H2,(H,18,19)
InChI Key:
DAHDZOSOGWOERK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ccc(nn1)C(F)(F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.231g/mol
Monoisotopic Mass:
275.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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