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5-bromo-2-ethyl-1,3-benzoxazole

5-bromo-2-ethyl-1,3-benzoxazole

CAS: 938458-80-1

Formula: C9H8BrNO

SMILES: CCC1=NC2=CC(Br)=CC=C2O1

IUPAC: 5-bromo-2-ethyl-1,3-benzoxazole

InChI: InChI=1S/C9H8BrNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3

Composition: C (47.82%), H (3.57%), Br (35.34%), N (6.20%), O (7.08%)

Molar Mass: 226.073

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.978927
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FEFKLDDJMPFJHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.41
Topological Polar Surface Area 26.03
Polarizability 20.17
Ring Count 2
Rotatable Bond Count 1

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