alpha,4-Dichlorobenzaldoxime - CAS 28123-63-9

Catalog:	BB019772
Product Name:	alpha,4-Dichlorobenzaldoxime
CAS:	28123-63-9
Synonyms:	(1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride; (1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	(1Z)-4-chloro-N-hydroxybenzenecarboximidoyl chloride
Description:	alpha,4-Dichlorobenzaldoxime (CAS# 28123-63-9) is a useful research chemical.
Molecular Weight:	190.03
Molecular Formula:	C7H5Cl2NO
Canonical SMILES:	C1=CC(=CC=C1C(=NO)Cl)Cl
InChI:	InChI=1S/C7H5Cl2NO/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H/b10-7-
InChI Key:	JPBNMRDGFBFKLT-YFHOEESVSA-N
Appearance:	Solid
MDL:	MFCD00136374
LogP:	2.71460

Publication Number	Title	Priority Date
WO-2020008317-A1	Acylsufonamide compounds useful as ep3 receptor antagonists	20180703
US-2020247796-A1	Pyrrole derivatives as plk1 inhibitors	20170428
EP-3386591-A1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
EP-3386591-B1	Heteroaromatic nmda receptor modulators and uses thereof	20151209
US-10626122-B2	Heteroaromatic NMDA receptor modulators and uses thereof	20151209

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	188.9748192
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3