1-bromo-2,5-dimethoxy-4-methylbenzene

1-bromo-2,5-dimethoxy-4-methylbenzene

CAS: 13321-74-9

Formula: C9H11BrO2

SMILES: COC1=CC(Br)=C(OC)C=C1C

IUPAC: 1-bromo-2,5-dimethoxy-4-methylbenzene

InChI: InChI=1S/C9H11BrO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3

Composition: C (46.78%), H (4.80%), Br (34.58%), O (13.85%)

Molar Mass: 231.089

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.994243
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YDRBZEYUYXQONG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.65
Topological Polar Surface Area	18.46
Polarizability	19.96
Ring Count	1
Rotatable Bond Count	2

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