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3-[(4-bromophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid

3-[(4-bromophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid

Formula: C10H7BrN2O3

SMILES: OC(=O)C1=NC(CC2=CC=C(Br)C=C2)=NO1

IUPAC: 3-[(4-bromophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid

InChI: InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)5-8-12-9(10(14)15)16-13-8/h1-4H,5H2,(H,14,15)

Composition: C (42.43%), H (2.49%), Br (28.23%), N (9.90%), O (16.96%)

Molar Mass: 283.081

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 281.964005
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DQCYVEGDXFEMLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.38
Topological Polar Surface Area 76.22
Polarizability 22.22
Ring Count 2
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C10H7BrN2O3 $1,380.00-$2,530.00$1,380.00$1,860.00$2,530.00
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