CAS 1592-95-6 | 9H-Carbazole, 3-bromo- | CAS Number 1592-95-6

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1592-95-6 | 9H-Carbazole, 3-bromo-

CAS No: 1592-95-6 Catalog No: AG001QKB MDL No:MFCD00222621

Product Description

Catalog Number:

AG001QKB

Chemical Name:

9H-Carbazole, 3-bromo-

CAS Number:

1592-95-6

Molecular Formula:

C12H8BrN

Molecular Weight:

246.1026

MDL Number:

MFCD00222621

IUPAC Name:

3-bromo-9H-carbazole

InChI:

InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H

InChI Key:

LTBWKAYPXIIVPC-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)c1ccccc1[nH]2

NSC Number:

74389

Properties

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.107g/mol

Monoisotopic Mass:

244.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
9-Benzyl-3-bromo-9H-carbazole.	Acta crystallographica. Section E, Structure reports online 20090801
3-Bromo-9-(4-chloro-benz-yl)-9H-carbazole.	Acta crystallographica. Section E, Structure reports online 20090701
3-Bromo-9-(4-fluoro-benz-yl)-9H-carbazole.	Acta crystallographica. Section E, Structure reports online 20090701