2-Amino-5-(4-nitrophenyl)-1,3,4-oxadiazole - CAS 51891-79-3

Name: 2-Amino-5-(4-nitrophenyl)-1,3,4-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027638
Product Name:	2-Amino-5-(4-nitrophenyl)-1,3,4-oxadiazole
CAS:	51891-79-3
Synonyms:	5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine
Description:	2-Amino-5-(4-nitrophenyl)-1,3,4-oxadiazole (CAS# 51891-79-3) is a useful research chemical.
Molecular Weight:	206.16
Molecular Formula:	C8H6N4O3
Canonical SMILES:	C1=CC(=CC=C1C2=NN=C(O2)N)[N+](=O)[O-]
InChI:	InChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)
InChI Key:	PUEUDKAZSHKSOZ-UHFFFAOYSA-N
Boiling Point:	431.8 °C at 760 mmHg
Density:	1.493 g/cm³
Appearance:	White to tan powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00603997
LogP:	2.33140

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Related Functional Groups

Oxadiazole/Thiadiazole

[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[1018143-62-8]C12H12N2O4
Ethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
[4970-53-0]C5H7N3O3
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
[880361-90-0]C10H11N3O
Methyl-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-amine
[938007-34-2]C12H12N4O4
N-(2-Aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxamide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.04399007
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.04399007
Rotatable Bond Count:	1
Topological Polar Surface Area:	111 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9