4-Bromo-N-methylbenzamide - CAS 27466-83-7

Catalog:	BB019577
Product Name:	4-Bromo-N-methylbenzamide
CAS:	27466-83-7
Synonyms:	4-bromo-N-methylbenzamide; 4-bromo-N-methylbenzamide

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-N-methylbenzamide
Description:	4-Bromo-N-methylbenzamide (CAS# 27466-83-7) is a useful research chemical.
Molecular Weight:	214.06
Molecular Formula:	C8H8BrNO
Canonical SMILES:	CNC(=O)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C8H8BrNO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChI Key:	DXCFWNVWQTYPOC-UHFFFAOYSA-N
Boiling Point:	329.8 °C at 760 mmHg
Density:	1.466 g/cm³
LogP:	2.19960

Publication Number	Title	Priority Date
WO-2021013083-A1	Tricyclic compounds as hpk1 inhibitor and the use thereof	20190717
WO-2019198024-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
EP-3774775-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
US-2021024503-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
JP-2021521131-A	4-Oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411

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Carbonyl Compounds

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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:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.97893
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8