4-Bromomethylpyrrolidin-2-one - CAS 945671-51-2

Catalog:	BB055302
Product Name:	4-Bromomethylpyrrolidin-2-one
CAS:	945671-51-2
Synonyms:	4-(bromomethyl)pyrrolidin-2-one; 4-bromomethylpyrrolidin-2-one; 4-(BROMOMETHYL)-2-PYRROLIDINONE

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(bromomethyl)pyrrolidin-2-one
Molecular Weight:	178.03
Molecular Formula:	C5H8BrNO
Canonical SMILES:	C1C(CNC1=O)CBr
InChI:	InChI=1S/C5H8BrNO/c6-2-4-1-5(8)7-3-4/h4H,1-3H2,(H,7,8)
InChI Key:	UQOBYBZHCXBRGL-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021163254-A1	Heterocyclic pad4 inhibitors	20200212
WO-2020030925-A1	Heterocyclic substituted ureas, for use against cancer	20180810
AU-2010276441-A1	Inhibitors of Flaviviridae viruses	20090721
AU-2010276441-B2	Inhibitors of Flaviviridae viruses	20090721
CA-2767088-A1	Inhibitors of flaviviridae viruses	20090721
EA-020816-B1	FLAVIVIRIDAE VIRUS INHIBITORS	20090721
EP-2475657-B1	5-alkinylthien-2-ylcarboxylic acids as inhibitors of flaviviridae viruses	20090721
ES-2427342-T3	5-Alkynylthien-2-ylcarboxylic acids as inhibitors of Flaviviridae virus	20090721
US-2011020278-A1	Inhibitors of flaviviridae viruses	20090721
US-2014030223-A1	Inhibitors of flaviviridae viruses	20090721

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.97893
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3