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

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

CAS: 7017-52-9

Formula: C8H8BrClO

SMILES: COC1=C(CCl)C=C(Br)C=C1

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

InChI: InChI=1S/C8H8BrClO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5H2,1H3

Composition: C (40.80%), H (3.42%), Br (33.93%), Cl (15.05%), O (6.79%)

Molar Mass: 235.51

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.944706
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YUJFMJVATVQTBS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.01
Topological Polar Surface Area 9.23
Polarizability 19.39
Ring Count 1
Rotatable Bond Count 2

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