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5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride

5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride

CAS: 108551-60-6

Formula: C9H6BrClO2

SMILES: ClC(=O)C1=C2OCCC2=CC(Br)=C1

IUPAC: 5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride

InChI: InChI=1S/C9H6BrClO2/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2

Composition: C (41.34%), H (2.31%), Br (30.56%), Cl (13.56%), O (12.24%)

Molar Mass: 261.5

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.92397
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WGOAQNQGOZTVID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.57
Topological Polar Surface Area 26.3
Polarizability 20.63
Ring Count 2
Rotatable Bond Count 1

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