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Home > Aldehydes > 136347-52-9
136347-52-9 | 1-(4-Fluorophenyl)-4-Methyl-1H-1,2,3-Triazole-5-Carbaldehyde
CAS No: 136347-52-9 Catalog No: AG01DJB6 MDL No:MFCD30471968
Product Description
Catalog Number:
AG01DJB6
Chemical Name:
1-(4-Fluorophenyl)-4-Methyl-1H-1,2,3-Triazole-5-Carbaldehyde
CAS Number:
136347-52-9
Molecular Formula:
C10H8FN3O
Molecular Weight:
205.1884
MDL Number:
MFCD30471968
IUPAC Name:
3-(4-fluorophenyl)-5-methyltriazole-4-carbaldehyde
InChI:
InChI=1S/C10H8FN3O/c1-7-10(6-15)14(13-12-7)9-4-2-8(11)3-5-9/h2-6H,1H3
InChI Key:
GQOCBBFRVFJZHI-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nnn1c1ccc(cc1)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.192g/mol
Monoisotopic Mass:
205.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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