3, 6- Dibromo- α- [[(2- chlorophenyl) amino] methyl] -9H- carbazole- 9- ethanol - CAS 327026-16-4

Catalog:	BB055741
Product Name:	3, 6- Dibromo- α- [[(2- chlorophenyl) amino] methyl] -9H- carbazole- 9- ethanol
CAS:	327026-16-4
Synonyms:	1-(2-Chloroanilino)-3-(3,6-dibromo-9H-carbazol-9-yl)-2-propanol

Technical Data

IUPAC Name:	1-(2-chloroanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Description:	3, 6- Dibromo- α- [[(2- chlorophenyl) amino] methyl] -9H- carbazole- 9- ethanol is a derivative compound of 3, 6- Dibromo- α- [[(4- bromophenyl) amino] methyl] -9H- carbazole- 9- ethanol(D425060) which acts as a reagent for the synthesis of carbazolyaminopropanosl and other related compounds as pro-neurogenic and anit-depression compounds.
Molecular Weight:	508.63
Molecular Formula:	C21H17Br2ClN2O
Canonical SMILES:	C1=CC=C(C(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)Cl
InChI:	InChI=1S/C21H17Br2ClN2O/c22-13-5-7-20-16(9-13)17-10-14(23)6-8-21(17)26(20)12-15(27)11-25-19-4-2-1-3-18(19)24/h1-10,15,25,27H,11-12H2
InChI Key:	IODZDMBFIXBRBA-UHFFFAOYSA-N
References:	McKnight, S. L., et al. Pat. Appl. Publ. (2014), US 20140343018 A1 20141120.

Complexity:	473
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	507.93757
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	505.93962
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	6.3