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5-bromo-6,7-dimethyl-1,3-benzoxazol-2-amine

5-bromo-6,7-dimethyl-1,3-benzoxazol-2-amine

Formula: C9H9BrN2O

SMILES: CC1=C2OC(N)=NC2=CC(Br)=C1C

IUPAC: 5-bromo-6,7-dimethyl-1,3-benzoxazol-2-amine

InChI: InChI=1S/C9H9BrN2O/c1-4-5(2)8-7(3-6(4)10)12-9(11)13-8/h3H,1-2H3,(H2,11,12)

Composition: C (44.84%), H (3.76%), Br (33.14%), N (11.62%), O (6.64%)

Molar Mass: 241.088

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 239.989826
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PZGHQRNNSNNWAF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.6
Topological Polar Surface Area 52.05
Polarizability 21.26
Ring Count 2
Rotatable Bond Count 0

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C9H9BrN2O Quote Only