AG004QPP

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

AG004QPP

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CAS Number	864750-58-3
Catalog Number	AG004QPP(AGN-PC-050HEK)
Chemical Name	2-Bromo-5-methyl-1,3,4-oxadiazole
IUPAC Name	2-bromo-5-methyl-1,3,4-oxadiazole
InChI	InChI=1S/C3H3BrN2O/c1-2-5-6-3(4)7-2/h1H3
InChI Key	KLFIDXBWKMWDOF-UHFFFAOYSA-N
MDL Number	MFCD12027126
Molecular Formula	C3H3BrN2O
Molecular Weight	162.9727
SMILES	CC1=NN=C(Br)O1
Synonyms	2-bromo-5-methyl-1,3,4-oxadiazole, 864750-58-3, 2-Bromo-5-methyl-[1,3,4]oxadiazole, 1,3,4-Oxadiazole, 2-bromo-5-methyl-, bromo methyl-1,3,4-oxadiazol, SCHEMBL2272358, CTK5F6778, DTXSID30649264, KLFIDXBWKMWDOF-UHFFFAOYSA-N, ALBB-005901, KS-00003T4M, 1006AF, MFCD12027126, STK503607, ZINC34926228, AKOS000321612, RTR-038049, AJ-90372, SC-14747, TS-02166, DB-076653, TR-038049, BB 0260139, CS-0079631, FT-0679158, Z-1913, I14-26224, F8887-8117, C3H3BrN2O,

Complexity	70
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.943g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.974g/mol
Monoisotopic Mass	161.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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