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7-bromo-3,4-dihydro-2H-1-benzopyran

7-bromo-3,4-dihydro-2H-1-benzopyran

CAS: 941710-30-1

Formula: C9H9BrO

SMILES: BrC1=CC=C2CCCOC2=C1

IUPAC: 7-bromo-3,4-dihydro-2H-1-benzopyran

InChI: InChI=1S/C9H9BrO/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6H,1-2,5H2

Composition: C (50.73%), H (4.26%), Br (37.50%), O (7.51%)

Molar Mass: 213.074

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.983678
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BCDHMTIEVNKNCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.05
Topological Polar Surface Area 9.23
Polarizability 18.51
Ring Count 2
Rotatable Bond Count 0

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