200,000+ products from a single source!
sales@angenechem.com
100726-41-8 | 1H-1,2,3-Benzotriazol-1-ylmethyl benzoate
CAS No: 100726-41-8 Catalog No: AG01FBFV MDL No:MFCD00956573
Product Description
Catalog Number:
AG01FBFV
Chemical Name:
1H-1,2,3-Benzotriazol-1-ylmethyl benzoate
CAS Number:
100726-41-8
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD00956573
IUPAC Name:
benzotriazol-1-ylmethyl benzoate
InChI:
InChI=1S/C14H11N3O2/c18-14(11-6-2-1-3-7-11)19-10-17-13-9-5-4-8-12(13)15-16-17/h1-9H,10H2
InChI Key:
JGMDINVNKRYAMC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCn1nnc2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| (1H-1,2,3-Benzotriazol-1-yl)methyl benzoate. | Acta crystallographica. Section E, Structure reports online 20120501 |
Related Products
© 2019 Angene International Limited. All rights Reserved.