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Home > Aldehydes > 1260667-41-1
1260667-41-1 | 5-(trifluoromethyl)-1,3,4-thiadiazole-2-carbaldehyde
CAS No: 1260667-41-1 Catalog No: AG01EM5Y MDL No:MFCD18250339
Product Description
Catalog Number:
AG01EM5Y
Chemical Name:
5-(trifluoromethyl)-1,3,4-thiadiazole-2-carbaldehyde
CAS Number:
1260667-41-1
Molecular Formula:
C4HF3N2OS
Molecular Weight:
182.1237
MDL Number:
MFCD18250339
IUPAC Name:
5-(trifluoromethyl)-1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C4HF3N2OS/c5-4(6,7)3-9-8-2(1-10)11-3/h1H
InChI Key:
CVBHOLONBSFABF-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(s1)C(F)(F)F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.12g/mol
Monoisotopic Mass:
181.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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