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Home > Aldehydes > 958443-35-1
958443-35-1 | 1-[5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]PIPERIDINE-4-CARBALDEHYDE
CAS No: 958443-35-1 Catalog No: AG005X0J MDL No:MFCD13151982
Product Description
Catalog Number:
AG005X0J
Chemical Name:
1-[5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]PIPERIDINE-4-CARBALDEHYDE
CAS Number:
958443-35-1
Molecular Formula:
C9H10F3N3OS
Molecular Weight:
265.2554
MDL Number:
MFCD13151982
IUPAC Name:
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbaldehyde
InChI:
InChI=1S/C9H10F3N3OS/c10-9(11,12)7-13-14-8(17-7)15-3-1-6(5-16)2-4-15/h5-6H,1-4H2
InChI Key:
KCQHHTNKNJXRLI-UHFFFAOYSA-N
SMILES:
O=CC1CCN(CC1)c1nnc(s1)C(F)(F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.254g/mol
Monoisotopic Mass:
265.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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