Methyl 3-Bromo-1H-indazole-5-carboxylate - CAS 1086391-06-1

Catalog:	BB002303
Product Name:	Methyl 3-Bromo-1H-indazole-5-carboxylate
CAS:	1086391-06-1
Synonyms:	3-bromo-2H-indazole-5-carboxylic acid methyl ester; methyl 3-bromo-2H-indazole-5-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 3-bromo-2H-indazole-5-carboxylate
Description:	Methyl 3-Bromo-1H-indazole-5-carboxylate (CAS# 1086391-06-1) is a useful research chemical.
Molecular Weight:	255.07
Molecular Formula:	C9H7BrN2O2
Canonical SMILES:	COC(=O)C1=CC2=C(NN=C2C=C1)Br
InChI:	InChI=1S/C9H7BrN2O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H,11,12)
InChI Key:	JEPZKKWEBQAHAO-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD11045401
LogP:	2.11200

Publication Number	Title	Priority Date
EP-3464270-A2	Heterocyclic inhibitors of cbp/ep300 and their use in the treatment of cancer	20160524
JP-2019516757-A	Heterocyclic inhibitors of CBP / EP 300 and their use in the treatment of cancer	20160524
US-10696655-B2	Therapeutic compounds and uses thereof	20160524
US-2019152949-A1	Therapeutic compounds and uses thereof	20160524
WO-2017205536-A2	Therapeutic compounds and uses thereof	20160524

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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:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.96909
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.96909
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4