5-Bromo-3-chloro-1H-indazole - CAS 36760-19-7

Catalog:	BB023066
Product Name:	5-Bromo-3-chloro-1H-indazole
CAS:	36760-19-7
Synonyms:	5-bromo-3-chloro-2H-indazole; 5-bromo-3-chloro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-chloro-2H-indazole
Description:	5-Bromo-3-chloro-1H-indazole (CAS# 36760-19-7) is a useful research chemical.
Molecular Weight:	231.48
Molecular Formula:	C7H4BrClN2
Canonical SMILES:	C1=CC2=NNC(=C2C=C1Br)Cl
InChI:	InChI=1S/C7H4BrClN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChI Key:	SWJXMRPKABLFAG-UHFFFAOYSA-N
Boiling Point:	368.5 °C at 760 mmHg
Density:	1.878 g/cm³
Appearance:	Off-white solid
MDL:	MFCD06738284
LogP:	2.97880

Publication Number	Title	Priority Date
TW-201945355-A	Condensed cyclic urea derivatives as CRHR2 antagonists	20180409
WO-2019198692-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
CN-111868037-A	Fused cyclic urea derivatives as CRHR2 antagonists	20180409
KR-20200135834-A	Condensed cyclic urea derivatives as CRHR2 antagonists	20180409
BR-112020020708-A2	CYCLIC UREA FUSED DERIVATIVES AS CRHR2 ANTAGONIST	20180409

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Related Functional Groups

Indazoles

[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[1956318-62-9]
3-Amino-5-[(3,5-difluorophenyl)difluoromethyl]-1H-indazole
[43120-28-1]
Methyl 1H-indazole-3-carboxylate
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[66607-27-0]
3-Iodo-1H-indazole

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	3.2