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Home > Aldehydes > 1249124-17-1
1249124-17-1 | 4-(dimethyl-1H-1,2,4-triazol-1-yl)benzaldehyde
CAS No: 1249124-17-1 Catalog No: AG01DV3X MDL No:MFCD14630785
Product Description
Catalog Number:
AG01DV3X
Chemical Name:
4-(dimethyl-1H-1,2,4-triazol-1-yl)benzaldehyde
CAS Number:
1249124-17-1
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD14630785
IUPAC Name:
4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzaldehyde
InChI:
InChI=1S/C11H11N3O/c1-8-12-9(2)14(13-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3
InChI Key:
YVOZRAZVAAKGRC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1nc(nc1C)C
Properties
Complexity:
226
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:
1.9
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