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1-bromo-2,4-difluoro-3-methoxybenzene

1-bromo-2,4-difluoro-3-methoxybenzene

CAS: 221221-00-7

Formula: C7H5BrF2O

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

IUPAC: 1-bromo-2,4-difluoro-3-methoxybenzene

InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3

Composition: C (37.70%), H (2.26%), Br (35.83%), F (17.04%), O (7.17%)

Molar Mass: 223.017

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.949184
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RXNZFRZJZNMBBJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.58
Topological Polar Surface Area 9.23
Polarizability 15.43
Ring Count 1
Rotatable Bond Count 1

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