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5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

CAS: 109060-66-4

Formula: C8H6BrN3O

SMILES: NC1=NN=C(O1)C1=CC(Br)=CC=C1

IUPAC: 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)

Composition: C (40.03%), H (2.52%), Br (33.29%), N (17.50%), O (6.66%)

Molar Mass: 240.06

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 238.969425
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CVVNMXRTDJRCHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.88
Topological Polar Surface Area 64.94
Polarizability 19.74
Ring Count 2
Rotatable Bond Count 1

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