2-Amino-3'-bromoacetophenone Hydrochloride - CAS 61858-39-7

Catalog:	BB031294
Product Name:	2-Amino-3'-bromoacetophenone Hydrochloride
CAS:	61858-39-7
Synonyms:	2-amino-1-(3-bromophenyl)ethanone;hydrochloride; 2-amino-1-(3-bromophenyl)ethanone;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2-amino-1-(3-bromophenyl)ethanone;hydrochloride
Description:	2-Amino-3'-bromoacetophenone Hydrochloride (CAS# 61858-39-7) is a useful research chemical.
Molecular Weight:	250.52
Molecular Formula:	C8H9BrClNO
Canonical SMILES:	C1=CC(=CC(=C1)Br)C(=O)CN.Cl
InChI:	InChI=1S/C8H8BrNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChI Key:	UBJDGVBOZSLUCW-UHFFFAOYSA-N
LogP:	3.09280

Publication Number	Title	Priority Date
EP-3475289-A1	Macrocyclic inhibitors of myeloperoxidase	20160628
JP-2019519576-A	Macrocycle inhibitors of myeloperoxidase	20160628
KR-20190022714-A	Macrocycline inhibitor of myeloperoxidase	20160628
US-10577383-B2	Macrocyclic inhibitors of myeloperoxidase	20160628
US-2019177340-A1	Macrocyclic inhibitors of myeloperoxidase	20160628

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.95560
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.95560
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0