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6-bromo-2,1-benzoxazole

6-bromo-2,1-benzoxazole

Formula: C7H4BrNO

SMILES: BrC1=CC2=NOC=C2C=C1

IUPAC: 6-bromo-2,1-benzoxazole

InChI: InChI=1S/C7H4BrNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H

Composition: C (42.46%), H (2.04%), Br (40.35%), N (7.07%), O (8.08%)

Molar Mass: 198.019

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.947627
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XFJAECNYWJDKBG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.2
Topological Polar Surface Area 26.03
Polarizability 16.62
Ring Count 2
Rotatable Bond Count 0

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C7H4BrNO Quote Only