1-bromo-3,5-dimethoxybenzene

1-bromo-3,5-dimethoxybenzene

CAS: 20469-65-2

Formula: C8H9BrO2

SMILES: COC1=CC(OC)=CC(Br)=C1

IUPAC: 1-bromo-3,5-dimethoxybenzene

InChI: InChI=1S/C8H9BrO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

Composition: C (44.27%), H (4.18%), Br (36.81%), O (14.74%)

Molar Mass: 217.062

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.978593
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KRWRFIMBWRVMKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.61
Topological Polar Surface Area	18.46
Polarizability	18.21
Ring Count	1
Rotatable Bond Count	2

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