CAS 124337-34-4 | 9H-Carbazole, 9-(1H-benzotriazol-1-ylmethyl)- | CAS Number 124337-34-4

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124337-34-4 | 9H-Carbazole, 9-(1H-benzotriazol-1-ylmethyl)-

CAS No: 124337-34-4 Catalog No: AG000LW4 MDL No:MFCD00216631

Product Description

Catalog Number:

AG000LW4

Chemical Name:

9H-Carbazole, 9-(1H-benzotriazol-1-ylmethyl)-

CAS Number:

124337-34-4

Molecular Formula:

C19H14N4

Molecular Weight:

298.3413

MDL Number:

MFCD00216631

IUPAC Name:

9-(benzotriazol-1-ylmethyl)carbazole

InChI:

InChI=1S/C19H14N4/c1-4-10-17-14(7-1)15-8-2-5-11-18(15)22(17)13-23-19-12-6-3-9-16(19)20-21-23/h1-12H,13H2

InChI Key:

JWLQIMHJRKCIFA-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)nnn2Cn1c2ccccc2c2c1cccc2

Properties

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.349g/mol

Monoisotopic Mass:

298.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Photophysical processes involved within the bichromophoric system 9-benzotriazole-1-ylmethyl-9H-carbazole and its role as an artificial photosynthetic device.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070301
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601