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Home > Aldehydes > 1249437-64-6
1249437-64-6 | 2-(3,5-dimethylphenyl)-2H-1,2,3-triazole-4-carbaldehyde
CAS No: 1249437-64-6 Catalog No: AG01A5ON MDL No:MFCD16699916
Product Description
Catalog Number:
AG01A5ON
Chemical Name:
2-(3,5-dimethylphenyl)-2H-1,2,3-triazole-4-carbaldehyde
CAS Number:
1249437-64-6
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD16699916
IUPAC Name:
2-(3,5-dimethylphenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C11H11N3O/c1-8-3-9(2)5-11(4-8)14-12-6-10(7-15)13-14/h3-7H,1-2H3
InChI Key:
KGOSQAAAKSDTFV-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(n1)c1cc(C)cc(c1)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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