AG00721N

41421-03-8 | 1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-methyl-

AG00721N

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CAS Number	41421-03-8
Catalog Number	AG00721N(AGN-PC-0JSL54)
Chemical Name	1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-methyl-
IUPAC Name	2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole
InChI	InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChI Key	PQSCYRJMPVYVKU-UHFFFAOYSA-N
MDL Number	MFCD00491620
Molecular Formula	C9H7BrN2O
Molecular Weight	239.0687
SMILES	Cc1nnc(c2ccc(Br)cc2)o1
Synonyms	2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole, 41421-03-8, 1,3,4-Oxadiazole, 2-(4-bromophenyl)-5-methyl-, PQSCYRJMPVYVKU-UHFFFAOYSA-N, 2-(4-Bromo-phenyl)-5-methyl-[1,3,4]oxadiazole, AC1LBR01, 2-(4-Bromophenyl)-5-methyl-[1,3,4]oxadiazole, SCHEMBL930622, CTK1D3859, KS-00001BEF, DTXSID70337254, 2934AE, MFCD00491620, SBB099042, ZINC12370677, AKOS008967295, AS-8552, PB24667, AJ-61851, DB-070187, BB 0238205, CS-0038499, FT-0714173, EN300-79252, Q-1380, 2-(4-Bromo-phenyl)-5-methyl-[1,3,4]oxadiazo le, I14-57992, F1773-0116, 2-(4-Bromophenyl)-5-methyl-1,3,4-oxadiazole, AldrichCPR, C9H7BrN2O, 2- -5-methyl-1,3,4-oxadiazole, CID540693, 1-[1-(methylsulfonyl)-3-piperidinyl]methanamine,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.072g/mol
Monoisotopic Mass	237.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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