200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 139454-85-6
139454-85-6 | 1H-1,2,3-Triazole-5-carboxaldehyde, 1-(phenylmethyl)-
CAS No: 139454-85-6 Catalog No: AG001B1R MDL No:MFCD11557214
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.