Home Aldehydes 1-phenyl-1H-1,2,3-triazole-5-carbaldehyde

1-phenyl-1H-1,2,3-triazole-5-carbaldehyde

CAS No.:
59401-82-0
Catalog Number:
AG01BG2H
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
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Product Description
Catalog Number:
AG01BG2H
Chemical Name:
1-phenyl-1H-1,2,3-triazole-5-carbaldehyde
CAS Number:
59401-82-0
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD22024316
IUPAC Name:
3-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C9H7N3O/c13-7-9-6-10-11-12(9)8-4-2-1-3-5-8/h1-7H
InChI Key:
FKFQSZNUUBKDNS-UHFFFAOYSA-N
SMILES:
O=Cc1cnnn1c1ccccc1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties