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1-bromo-2-(difluoromethyl)-4-methoxybenzene

1-bromo-2-(difluoromethyl)-4-methoxybenzene

CAS: 1214329-81-3

Formula: C8H7BrF2O

SMILES: COC1=CC=C(Br)C(=C1)C(F)F

IUPAC: 1-bromo-2-(difluoromethyl)-4-methoxybenzene

InChI: InChI=1S/C8H7BrF2O/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,8H,1H3

Composition: C (40.54%), H (2.98%), Br (33.71%), F (16.03%), O (6.75%)

Molar Mass: 237.044

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.964834
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RHSFDVRQELWSHQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.23
Topological Polar Surface Area 9.23
Polarizability 17.24
Ring Count 1
Rotatable Bond Count 2

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