200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88710-40-1
88710-40-1 | Acetonitrile, [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenoxy]-
CAS No: 88710-40-1 Catalog No: AG0045UO MDL No:
Product Description
Catalog Number:
AG0045UO
Chemical Name:
Acetonitrile, [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenoxy]-
CAS Number:
88710-40-1
Molecular Formula:
C14H11N5O2
Molecular Weight:
281.2694
IUPAC Name:
2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenoxy]acetonitrile
InChI:
InChI=1S/C14H11N5O2/c1-20-13-6-9(21-5-4-15)2-3-10(13)14-18-11-7-16-17-8-12(11)19-14/h2-3,6-8H,5H2,1H3,(H,18,19)
InChI Key:
NNQLEWVIAHPXGA-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c(c1)OC)c1nc2c([nH]1)cnnc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.