5-chloro-1H-1,3-benzodiazole-2-carbaldehyde - CAS 39811-11-5

Catalog:	BB024142
Product Name:	5-chloro-1H-1,3-benzodiazole-2-carbaldehyde
CAS:	39811-11-5
Synonyms:	6-chloro-1H-benzimidazole-2-carboxaldehyde; 6-chloro-1H-benzimidazole-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-1H-benzimidazole-2-carbaldehyde
Description:	5-chloro-1H-1,3-benzodiazole-2-carbaldehyde (CAS# 39811-11-5 ) is a useful research chemical.
Molecular Weight:	180.591
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC2=C(C=C1Cl)NC(=N2)C=O
InChI:	InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-4H,(H,10,11)
InChI Key:	LCVUEIXVCGCYPP-UHFFFAOYSA-N
Boiling Point:	395.9 °C at 760 mmHg
Density:	1.521 g/cm³
LogP:	2.02880

Publication Number	Title	Priority Date
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
AU-2005312388-A1	Novel pyrrolo [3, 2-d] pyrimidin-4-one derivatives and their use in therapy	20041206
AU-2005312388-B2	Novel pyrrolo [3, 2-d] pyrimidin-4-one derivatives and their use in therapy	20041206
CA-2591314-C	Novel pyrrolo[3,2-d]pyrimidin-4-one derivatives and their use in therapy	20041206
EP-1824855-A1	Novel pyrrolo [3, 2-d]pyrimidin-4-one derivatives and their use in therapy	20041206

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Related Functional Groups

Benzimidazoles

[133687-93-1]
5-(trifluoromethyl)benzimidazol-2(3H)-one
[39513-26-3]
5-Bromo-1,3-dihydrobenzoimidazol-2-one
[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[63503-83-3]
2-Hydrazino-4-methyl-1H-benzimidazole
[1245642-98-1]
4-Bromo-6-fluorobenzimidazole
[884069-38-9]
4-(2-Methylbenzimidazolyl)benzenecarbonitrile

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0090405
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2