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4-Amino-3-[chloro(hydroxyimino)methyl]-1,2,5-oxadiazole

4-Amino-3-[chloro(hydroxyimino)methyl]-1,2,5-oxadiazole - CAS 147085-13-0

Catalog:	BB010158
Product Name:	4-Amino-3-[chloro(hydroxyimino)methyl]-1,2,5-oxadiazole
CAS:	147085-13-0
Synonyms:	(3Z)-4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride; (3Z)-4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidoyl chloride
Description:	4-Amino-3-[chloro(hydroxyimino)methyl]-1,2,5-oxadiazole (CAS# 147085-13-0 ) is a useful research chemical.
Molecular Weight:	162.53
Molecular Formula:	C3H3ClN4O2
Canonical SMILES:	C1(=NON=C1N)C(=NO)Cl
InChI:	InChI=1S/C3H3ClN4O2/c4-2(6-9)1-3(5)8-10-7-1/h9H,(H2,5,8)/b6-2-
InChI Key:	LVNWHKAEEDWAGF-KXFIGUGUSA-N
LogP:	0.93470

Publication Number	Title	Priority Date
BR-112019020080-A2	new n? -hydroxycarbamimidoyl-1,2,5-oxadiazole compounds substituted as indoleamine 2,3-dioxigenase (acid) inhibitors	20170329
CA-3057312-A1	Novel substituted n'-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20170329
US-2020102278-A1	Novel substituted n'-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase ido inhibitors	20170329
US-11034661-B2	Substituted Nâ€²-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase IDO inhibitors	20170329
US-2020095212-A1	Novel substituted sulfoximine compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20170224

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.9944530
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.9944530
Rotatable Bond Count:	1
Topological Polar Surface Area:	97.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	0.5