1-bromo-5-fluoro-4-methoxy-2-methylbenzene

1-bromo-5-fluoro-4-methoxy-2-methylbenzene

CAS: 550400-11-8

Formula: C8H8BrFO

SMILES: COC1=CC(C)=C(Br)C=C1F

IUPAC: 1-bromo-5-fluoro-4-methoxy-2-methylbenzene

InChI: InChI=1S/C8H8BrFO/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3

Composition: C (43.87%), H (3.68%), Br (36.48%), F (8.67%), O (7.30%)

Molar Mass: 219.053

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.974256
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IVPVTTXBBADNFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.4
Topological Polar Surface Area	9.23
Polarizability	17.23
Ring Count	1
Rotatable Bond Count	1

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