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1-(propan-2-yl)-1H-1,2,3-benzotriazole-6-carbaldehyde

1-(propan-2-yl)-1H-1,2,3-benzotriazole-6-carbaldehyde - CAS 467235-07-0

Catalog:	BB026171
Product Name:	1-(propan-2-yl)-1H-1,2,3-benzotriazole-6-carbaldehyde
CAS:	467235-07-0
Synonyms:	1-propan-2-yl-5-benzotriazolecarboxaldehyde; 1-propan-2-ylbenzotriazole-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	1-propan-2-ylbenzotriazole-5-carbaldehyde
Description:	1-(propan-2-yl)-1H-1,2,3-benzotriazole-6-carbaldehyde (CAS# 467235-07-0 ) is a useful research chemical.
Molecular Weight:	189.218
Molecular Formula:	C10H11N3O
Canonical SMILES:	CC(C)N1C2=C(C=C(C=C2)C=O)N=N1
InChI:	InChI=1S/C10H11N3O/c1-7(2)13-10-4-3-8(6-14)5-9(10)11-12-13/h3-7H,1-2H3
InChI Key:	DFEWCUGAJHKOAS-UHFFFAOYSA-N
LogP:	1.82470

Publication Number	Title	Priority Date
EP-2005995-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
US-2010184751-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
EP-2094677-B1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
EP-1963324-B1	Heterocyclic compounds, their preparation and their use as antibacterials	20051222
US-2007185153-A1	Compounds	20051222

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.090211983
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.090211983
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4