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1-{3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl}methanamine

1-{3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl}methanamine

CAS: 1341130-08-2

Formula: C10H10BrN3O

SMILES: NCC1=NC(CC2=CC=CC=C2Br)=NO1

IUPAC: 1-{3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl}methanamine

InChI: InChI=1S/C10H10BrN3O/c11-8-4-2-1-3-7(8)5-9-13-10(6-12)15-14-9/h1-4H,5-6,12H2

Composition: C (44.80%), H (3.76%), Br (29.80%), N (15.67%), O (5.97%)

Molar Mass: 268.114

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 267.000725
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GQQMTTRDVSRYNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.44
Topological Polar Surface Area 64.94
Polarizability 23.02
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1341130-08-2 $382.38-$955.94$382.38$382.38$955.94$955.94
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