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

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

CAS: 149910-98-5

Formula: C9H9BrO

SMILES: BrC1=CC=C2CCOCC2=C1

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

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

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	CHBQZLRHIRLMBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.56
Topological Polar Surface Area	9.23
Polarizability	18.52
Ring Count	2
Rotatable Bond Count	0

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