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2,3,6-tribromo-4-methylphenol

2,3,6-tribromo-4-methylphenol

CAS: 36776-51-9

Formula: C7H5Br3O

SMILES: CC1=C(Br)C(Br)=C(O)C(Br)=C1

IUPAC: 2,3,6-tribromo-4-methylphenol

InChI: InChI=1S/C7H5Br3O/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,1H3

Composition: C (24.38%), H (1.46%), Br (69.52%), O (4.64%)

Molar Mass: 344.828

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 341.789054
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FTGDPJRWRYCBFF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.95
Topological Polar Surface Area 20.23
Polarizability 21.82
Ring Count 1
Rotatable Bond Count 0

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