CAS 1903-94-2 | 9H-Carbazole-1-carboxaldehyde | CAS Number 1903-94-2

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1903-94-2 | 9H-Carbazole-1-carboxaldehyde

CAS No: 1903-94-2 Catalog No: AG002EGX MDL No:

Product Description

Catalog Number:

AG002EGX

Chemical Name:

9H-Carbazole-1-carboxaldehyde

CAS Number:

1903-94-2

Molecular Formula:

C13H9NO

Molecular Weight:

195.2167

IUPAC Name:

9H-carbazole-1-carbaldehyde

InChI:

InChI=1S/C13H9NO/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H

InChI Key:

VMHCBSGWJYTOML-UHFFFAOYSA-N

SMILES:

O=Cc1cccc2c1[nH]c1c2cccc1

Properties

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.221g/mol

Monoisotopic Mass:

195.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
4-[(9-Ethyl-9H-carbazol-3-yl)methyl-idene-amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.	Acta crystallographica. Section E, Structure reports online 20100701
2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyl-eneamino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile-benzene (2/1).	Acta crystallographica. Section E, Structure reports online 20100501