4-(Bromomethyl)-3-chlorobenzonitrile - CAS 21924-83-4

Catalog:	BB017207
Product Name:	4-(Bromomethyl)-3-chlorobenzonitrile
CAS:	21924-83-4
Synonyms:	4-(bromomethyl)-3-chlorobenzonitrile; 4-(bromomethyl)-3-chlorobenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-(bromomethyl)-3-chlorobenzonitrile
Description:	4-(Bromomethyl)-3-chlorobenzonitrile (CAS# 21924-83-4) is a useful research chemical.
Molecular Weight:	230.49
Molecular Formula:	C8H5BrClN
Canonical SMILES:	C1=CC(=C(C=C1C#N)Cl)CBr
InChI:	InChI=1S/C8H5BrClN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key:	OWKYKQSLKAJOBT-UHFFFAOYSA-N
LogP:	3.10658

Publication Number	Title	Priority Date
CN-112608320-A	Piperidine compound and preparation method and medical application thereof	20200116
WO-2021143792-A1	Piperidine compound, preparation method therefor and medical use thereof	20200116
US-2021171531-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.92939
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.92939
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1