Name: Name:4-{8-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}benzoic acid
Brand: Angene
SKU: AG019HSE
Rating: 90 (10 reviews)

4-{8-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}benzoic acid

CAS No.:

202341-40-0

Catalog Number:

AG019HSE

Molecular Formula:

C19H10N2O6

Molecular Weight:

362.2925

Catalog Number:

AG019HSE

Chemical Name:

4-{8-nitro-2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}benzoic acid

CAS Number:

202341-40-0

Molecular Formula:

C19H10N2O6

Molecular Weight:

362.2925

MDL Number:

MFCD00188671

IUPAC Name:

4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid

InChI:

InChI=1S/C19H10N2O6/c22-17-13-3-1-2-12-15(21(26)27)9-8-14(16(12)13)18(23)20(17)11-6-4-10(5-7-11)19(24)25/h1-9H,(H,24,25)

InChI Key:

CKZZWONCAWOIKG-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3[N+](=O)[O-]

Complexity:

666

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

362.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

362.297g/mol

Monoisotopic Mass:

362.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1