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Home > Aldehydes > 944906-25-6
944906-25-6 | 5-(Trifluoromethyl)-1H-1,2,4-triazole-3-carboxaldehyde
CAS No: 944906-25-6 Catalog No: AG003AH9 MDL No:
Product Description
Catalog Number:
AG003AH9
Chemical Name:
5-(Trifluoromethyl)-1H-1,2,4-triazole-3-carboxaldehyde
CAS Number:
944906-25-6
Molecular Formula:
C4H2F3N3O
Molecular Weight:
165.0734
IUPAC Name:
5-(trifluoromethyl)-1H-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C4H2F3N3O/c5-4(6,7)3-8-2(1-11)9-10-3/h1H,(H,8,9,10)
InChI Key:
JFKOOQUKAXXRON-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c(n1)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.075g/mol
Monoisotopic Mass:
165.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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