Name: Name:3-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Brand: Angene
SKU: AG019UL4
Rating: 90 (10 reviews)

3-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

CAS No.:

926201-05-0

Catalog Number:

AG019UL4

Molecular Formula:

C16H11ClN2O3

Molecular Weight:

314.7231

Catalog Number:

AG019UL4

Chemical Name:

3-(3-chloro-4-methylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

CAS Number:

926201-05-0

Molecular Formula:

C16H11ClN2O3

Molecular Weight:

314.7231

MDL Number:

MFCD09048651

IUPAC Name:

3-(3-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxylic acid

InChI:

InChI=1S/C16H11ClN2O3/c1-9-6-7-10(8-13(9)17)19-15(20)12-5-3-2-4-11(12)14(18-19)16(21)22/h2-8H,1H3,(H,21,22)

InChI Key:

QKDNCATVKRTYHM-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2ccc(c(c2)Cl)C)c(=O)c2c1cccc2

Complexity:

508

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.725g/mol

Monoisotopic Mass:

314.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4