Methyl 4-Bromo-1H-indazole-6-carboxylate - CAS 885518-47-8

Catalog:	BB038962
Product Name:	Methyl 4-Bromo-1H-indazole-6-carboxylate
CAS:	885518-47-8
Synonyms:	4-bromo-1H-indazole-6-carboxylic acid methyl ester; methyl 4-bromo-1H-indazole-6-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-bromo-1H-indazole-6-carboxylate
Description:	Methyl 4-Bromo-1H-indazole-6-carboxylate (CAS# 885518-47-8) is a useful research chemical.
Molecular Weight:	255.07
Molecular Formula:	C9H7BrN2O2
Canonical SMILES:	COC(=O)C1=CC2=C(C=NN2)C(=C1)Br
InChI:	InChI=1S/C9H7BrN2O2/c1-14-9(13)5-2-7(10)6-4-11-12-8(6)3-5/h2-4H,1H3,(H,11,12)
InChI Key:	DCYBEDQPCQOEIR-UHFFFAOYSA-N
MDL:	MFCD07368212
LogP:	2.11200

Publication Number	Title	Priority Date
CN-113004252-A	Aryl imidazole derivative and application thereof	20191220
WO-2021104486-A1	Compound containing benzene ring and application thereof	20191129
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WO-2021059136-A1	Polyheterocyclic modulators of sting (stimulator of interferon genes)	20190925
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Related Functional Groups

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Chloranilic acid
[959574-98-2]
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[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	2.1