Name: Name:4-(Pyridin-4-ylmethyl)phthalazin-1(2H)-one
Brand: Angene
SKU: AG003KA8
Rating: 90 (10 reviews)

4-(Pyridin-4-ylmethyl)phthalazin-1(2H)-one

CAS No.:

107558-48-5

Catalog Number:

AG003KA8

Molecular Formula:

C14H11N3O

Molecular Weight:

237.2566

Catalog Number:

AG003KA8

Chemical Name:

4-(Pyridin-4-ylmethyl)phthalazin-1(2H)-one

CAS Number:

107558-48-5

Molecular Formula:

C14H11N3O

Molecular Weight:

237.2566

MDL Number:

MFCD00443664

IUPAC Name:

4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one

InChI:

InChI=1S/C14H11N3O/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)

InChI Key:

NIQMWTLRDNQDIA-UHFFFAOYSA-N

SMILES:

O=c1[nH]nc(c2c1cccc2)Cc1ccncc1

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.262g/mol

Monoisotopic Mass:

237.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5