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2-(bromomethyl)-1,3-benzoxazole

2-(bromomethyl)-1,3-benzoxazole

CAS: 73101-74-3

Formula: C8H6BrNO

SMILES: BrCC1=NC2=CC=CC=C2O1

IUPAC: 2-(bromomethyl)-1,3-benzoxazole

InChI: InChI=1S/C8H6BrNO/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2

Composition: C (45.31%), H (2.85%), Br (37.68%), N (6.61%), O (7.55%)

Molar Mass: 212.046

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 210.963277
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VVKQNCHUKOHTDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.9
Topological Polar Surface Area 26.03
Polarizability 18.34
Ring Count 2
Rotatable Bond Count 1

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