Home Aldehydes 1H-1,2,3-Triazole-5-carboxaldehyde, 1-(phenylmethyl)-

1H-1,2,3-Triazole-5-carboxaldehyde, 1-(phenylmethyl)-

CAS No.:
139454-85-6
Catalog Number:
AG001B1R
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
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Product Description
Catalog Number:
AG001B1R
Chemical Name:
1H-1,2,3-Triazole-5-carboxaldehyde, 1-(phenylmethyl)-
CAS Number:
139454-85-6
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD11557214
IUPAC Name:
3-benzyltriazole-4-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c14-8-10-6-11-12-13(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
ZDPCHGJCSNRESP-UHFFFAOYSA-N
SMILES:
O=Cc1cnnn1Cc1ccccc1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties