200,000+ products from a single source!
sales@angenechem.com
875850-75-2 | 1,2,4-Benzotriazin-3-amine, 7-chloro-N-(phenylmethyl)-, 1-oxide
CAS No: 875850-75-2 Catalog No: AG004IVD MDL No:
Product Description
Catalog Number:
AG004IVD
Chemical Name:
1,2,4-Benzotriazin-3-amine, 7-chloro-N-(phenylmethyl)-, 1-oxide
CAS Number:
875850-75-2
Molecular Formula:
C14H11ClN4O
Molecular Weight:
286.7163
IUPAC Name:
N-benzyl-7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
InChI:
InChI=1S/C14H11ClN4O/c15-11-6-7-12-13(8-11)19(20)18-14(17-12)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChI Key:
XWYZWPZEIJKIEF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[n+]([O-])nc(n2)NCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.719g/mol
Monoisotopic Mass:
286.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.