AG007BIO

109060-66-4 | 5-(3-Bromophenyl)-1,3,4-oxadiazol-2-amine

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CAS Number	109060-66-4
Catalog Number	AG007BIO(AGN-PC-0KVAJB)
Chemical Name	5-(3-Bromophenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name	5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
InChI	InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key	CVVNMXRTDJRCHC-UHFFFAOYSA-N
MDL Number	MFCD04627325
Molecular Formula	C8H6BrN3O
Molecular Weight	240.0567
SMILES	NC1=NN=C(C2=CC=CC(Br)=C2)O1
Synonyms	5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine, 109060-66-4, CHEMBL2426231, 5-(3-bromophenyl)-1,3,4-oxadiazole-2-ylamine, ACMC-20e8yr, AC1MRC1Q, AC1Q534W, CTK0I3152, DTXSID20392974, ZINC3886888, AOD100079, BDBM50440129, MFCD04627325, SBB042623, STL227811, AKOS000201753, MCULE-6000550337, AJ-47245, AS-43474, SC-31148, AB0169789, RT-010061, ST45174918, EN300-07256, 5-(3-Bromophenyl)-1,3,4-oxadiazole-2-amine, L-2663, SR-01000048031, SR-01000048031-1, Z56950517, F2145-0171, 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine, AldrichCPR, ZINC03886888, CID3490544,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.06g/mol
Monoisotopic Mass	238.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
Signal Words	warning
UN Code

Certificate of Analysis

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