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Home Aldehydes 4-(dimethyl-1H-1,2,4-triazol-1-yl)-2-methylbenzaldehyde

4-(dimethyl-1H-1,2,4-triazol-1-yl)-2-methylbenzaldehyde

CAS No.:
1247108-88-8
Catalog Number:
AG01DV3C
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
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Product Description
Catalog Number:
AG01DV3C
Chemical Name:
4-(dimethyl-1H-1,2,4-triazol-1-yl)-2-methylbenzaldehyde
CAS Number:
1247108-88-8
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD16717766
IUPAC Name:
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbenzaldehyde
InChI:
InChI=1S/C12H13N3O/c1-8-6-12(5-4-11(8)7-16)15-10(3)13-9(2)14-15/h4-7H,1-3H3
InChI Key:
KVJDLYYDYIVVQL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)n1nc(nc1C)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties