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

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

CAS: 319478-14-3

Formula: C9H9BrO

SMILES: BrC1=CC=CC2=C1CCCO2

IUPAC: 5-bromo-3,4-dihydro-2H-1-benzopyran

InChI: InChI=1S/C9H9BrO/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5H,2-3,6H2

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 LHCOEOUYRDDIJP-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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