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1,3,5-tribromo-2-methoxy-4-methylbenzene

1,3,5-tribromo-2-methoxy-4-methylbenzene

CAS: 41424-36-6

Formula: C8H7Br3O

SMILES: COC1=C(Br)C=C(Br)C(C)=C1Br

IUPAC: 1,3,5-tribromo-2-methoxy-4-methylbenzene

InChI: InChI=1S/C8H7Br3O/c1-4-5(9)3-6(10)8(12-2)7(4)11/h3H,1-2H3

Composition: C (26.78%), H (1.97%), Br (66.80%), O (4.46%)

Molar Mass: 358.855

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 355.804704
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NMPPAMFEYWGNCI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.43
Topological Polar Surface Area 9.23
Polarizability 23.63
Ring Count 1
Rotatable Bond Count 1

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