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

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

CAS: 502159-65-1

Formula: C8H8BrClO

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

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

InChI: InChI=1S/C8H8BrClO/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3

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 BMBHAMNWXALHMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.99
Topological Polar Surface Area 9.23
Polarizability 19.38
Ring Count 1
Rotatable Bond Count 1

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