Methyl 3-Bromobenzimidate Hydrochloride - CAS 56108-13-5

Catalog:	BB029261
Product Name:	Methyl 3-Bromobenzimidate Hydrochloride
CAS:	56108-13-5
Synonyms:	3-bromobenzenecarboximidic acid methyl ester;hydrochloride; methyl 3-bromobenzenecarboximidate;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-bromobenzenecarboximidate;hydrochloride
Description:	Methyl 3-Bromobenzimidate Hydrochloride (CAS# 56108-13-5 ) is a useful research chemical.
Molecular Weight:	250.52
Molecular Formula:	C8H9BrClNO
Canonical SMILES:	COC(=N)C1=CC(=CC=C1)Br.Cl
InChI:	InChI=1S/C8H8BrNO.ClH/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-5,10H,1H3;1H
InChI Key:	MBLOGWJDLCGTJI-UHFFFAOYSA-N
LogP:	3.32260

Publication Number	Title	Priority Date
CA-3020305-A1	Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders	20160406
EP-3440083-A1	Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders	20160406
JP-2019510794-A	Imidazo [1,5-a] pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders	20160406
US-2017349599-A1	Imidazo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders	20160406
US-2019119283-A1	IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS	20160406

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9556
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.9556
Rotatable Bond Count:	2
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0