2-Bromo-5-methyl-1,3,4-oxadiazole - CAS 864750-58-3

Catalog:	BB037945
Product Name:	2-Bromo-5-methyl-1,3,4-oxadiazole
CAS:	864750-58-3
Synonyms:	2-bromo-5-methyl-1,3,4-oxadiazole; 2-bromo-5-methyl-1,3,4-oxadiazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-methyl-1,3,4-oxadiazole
Description:	2-Bromo-5-methyl-1,3,4-oxadiazole (CAS# 864750-58-3) is a useful research chemical.
Molecular Weight:	162.97
Molecular Formula:	C3H3BrN2O
Canonical SMILES:	CC1=NN=C(O1)Br
InChI:	InChI=1S/C3H3BrN2O/c1-2-5-6-3(4)7-2/h1H3
InChI Key:	KLFIDXBWKMWDOF-UHFFFAOYSA-N
Boiling Point:	208.3 °C at 760 mmHg
Density:	1.788 g/cm³
MDL:	MFCD12027126
LogP:	1.14050

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	70
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.94288
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.94288
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5