6-Bromo-1H-indazole-3-carbaldehyde - CAS 885271-72-7

Catalog:	BB038920
Product Name:	6-Bromo-1H-indazole-3-carbaldehyde
CAS:	885271-72-7
Synonyms:	6-bromo-2H-indazole-3-carboxaldehyde; 6-bromo-2H-indazole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2H-indazole-3-carbaldehyde
Description:	6-Bromo-1H-indazole-3-carbaldehyde (CAS# 885271-72-7) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C8H5BrN2O
Canonical SMILES:	C1=CC2=C(NN=C2C=C1Br)C=O
InChI:	InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChI Key:	RQQKGUPOPZJRLE-UHFFFAOYSA-N
Boiling Point:	414.1 °C at 760 mmHg
Density:	1.83 g/cm³
MDL:	MFCD06738286
LogP:	2.13790

Publication Number	Title	Priority Date
WO-2021014172-A1	Pyridine derivatives as calcium-activated chloride channel modulators	20190724
CN-111606908-A	JAK inhibitor compounds and uses thereof	20190225
CN-111606908-B	JAK inhibitor compounds and uses thereof	20190225
US-2020197391-A1	Compounds that participate in cooperative binding and uses thereof	20181221
WO-2020132597-A1	Compounds that participate in cooperative binding and uses thereof	20181221

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.95853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2