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7-bromo-1,3-benzoxazole-2-carbaldehyde

7-bromo-1,3-benzoxazole-2-carbaldehyde

CAS: 944907-44-2

Formula: C8H4BrNO2

SMILES: BrC1=C2OC(C=O)=NC2=CC=C1

IUPAC: 7-bromo-1,3-benzoxazole-2-carbaldehyde

InChI: InChI=1S/C8H4BrNO2/c9-5-2-1-3-6-8(5)12-7(4-11)10-6/h1-4H

Composition: C (42.51%), H (1.78%), Br (35.35%), N (6.20%), O (14.16%)

Molar Mass: 226.029

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.942541
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JRSVEKGCCYOULB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.39
Topological Polar Surface Area 43.1
Polarizability 18.6
Ring Count 2
Rotatable Bond Count 1

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