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Home > Aldehydes > 1545723-96-3
1545723-96-3 | 4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1545723-96-3 Catalog No: AG01BM65 MDL No:MFCD28626340
Product Description
Catalog Number:
AG01BM65
Chemical Name:
4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1545723-96-3
Molecular Formula:
C5H4F3N3O
Molecular Weight:
179.1000
MDL Number:
MFCD28626340
IUPAC Name:
4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C5H4F3N3O/c6-5(7,8)2-11-3-9-10-4(11)1-12/h1,3H,2H2
InChI Key:
NYJCIWHWRLURLW-UHFFFAOYSA-N
SMILES:
O=Cc1nncn1CC(F)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.102g/mol
Monoisotopic Mass:
179.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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