200,000+ products from a single source!
sales@angenechem.com
89844-82-6 | 1H-1,2,3-Triazole-4-carboxaldehyde, 1-heptyl-5-phenyl-
CAS No: 89844-82-6 Catalog No: AG003WVG MDL No:
Product Description
Catalog Number:
AG003WVG
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 1-heptyl-5-phenyl-
CAS Number:
89844-82-6
Molecular Formula:
C16H21N3O
Molecular Weight:
271.3574
IUPAC Name:
1-heptyl-5-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C16H21N3O/c1-2-3-4-5-9-12-19-16(15(13-20)17-18-19)14-10-7-6-8-11-14/h6-8,10-11,13H,2-5,9,12H2,1H3
InChI Key:
FCLMLWPMRQLXMY-UHFFFAOYSA-N
SMILES:
CCCCCCCn1nnc(c1c1ccccc1)C=O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.364g/mol
Monoisotopic Mass:
271.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.