5-Bromo-4-chloro-1H-indazole - CAS 1082041-90-4

Catalog:	BB002196
Product Name:	5-Bromo-4-chloro-1H-indazole
CAS:	1082041-90-4
Synonyms:	5-bromo-4-chloro-1H-indazole; 5-bromo-4-chloro-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-chloro-1H-indazole
Description:	5-Bromo-4-chloro-1H-indazole (CAS# 1082041-90-4) is a useful research chemical.
Molecular Weight:	231.48
Molecular Formula:	C7H4BrClN2
Canonical SMILES:	C1=CC(=C(C2=C1NN=C2)Cl)Br
InChI:	InChI=1S/C7H4BrClN2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
InChI Key:	GMGRNRQBEWCLKJ-UHFFFAOYSA-N
Boiling Point:	374.7 °C at 760 mmHg
Density:	1.878 g/cm³
MDL:	MFCD11007933
LogP:	2.97880

Publication Number	Title	Priority Date
WO-2021149817-A1	Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers	20200124
WO-2021143701-A1	Pyrimidine-4(3h)-ketone heterocyclic compound, preparation method therefor and use thereof in medicine and pharmacology	20200119
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021085653-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031
WO-2021033153-A1	Pyrazolo[3,4-b]pyrazine shp2 phosphatase inhibitors	20190820

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.92464
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.92464
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9