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1823895-62-0 | 1-METHYL-4-(TRIFLUOROMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBALDEHYDE
CAS No: 1823895-62-0 Catalog No: AG01C7ID MDL No:MFCD26516297
Product Description
Catalog Number:
AG01C7ID
Chemical Name:
1-METHYL-4-(TRIFLUOROMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBALDEHYDE
CAS Number:
1823895-62-0
Molecular Formula:
C5H4F3N3O
Molecular Weight:
179.1000
MDL Number:
MFCD26516297
IUPAC Name:
3-methyl-5-(trifluoromethyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C5H4F3N3O/c1-11-3(2-12)4(9-10-11)5(6,7)8/h2H,1H3
InChI Key:
FHPMRHXSVBJYHE-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)nnc1C(F)(F)F
Properties
Complexity:
183
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:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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