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Home > Aldehydes > 148062-66-2
148062-66-2 | 1-Trityl-1H-[1,2,4]triazole-3-carbaldehyde
CAS No: 148062-66-2 Catalog No: AG00ANLK MDL No:MFCD26954842
Product Description
Catalog Number:
AG00ANLK
Chemical Name:
1-Trityl-1H-[1,2,4]triazole-3-carbaldehyde
CAS Number:
148062-66-2
Molecular Formula:
C22H17N3O
Molecular Weight:
339.3899
MDL Number:
MFCD26954842
IUPAC Name:
1-trityl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C22H17N3O/c26-16-21-23-17-25(24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key:
PBGVUTTVPKVLGJ-UHFFFAOYSA-N
SMILES:
O=Cc1ncn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.398g/mol
Monoisotopic Mass:
339.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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