4-Bromo-2,6-dimethylphenol

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0 Metric Ton	Negotiable

0 Metric Ton

Negotiable

Min.Order :0 Metric Ton
Purity: 98%

Keywords

4-Bromo-2,6-dimethylphenol

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1. Properties of4-Bromo-2,6-dimethylphenol

Molecular Weight 201.06046 [g/mol]
Molecular Formula C8H9BrO
XLogP3

Details:

1. Properties of 4-Bromo-2,6-dimethylphenol

Molecular Weight 201.06046 [g/mol]
Molecular Formula C8H9BrO
XLogP3 2
H-Bond Don1
H-Bond Accept1
Tautomer Count 2
Exact Mass 199.983677
MonoIsotopic Mass 199.983677
Topological Polar Surface Area 20.2
Heavy Atom Count 10
Complexity 104
Covalently-Bonded Unit Count 1
Feature 3D DonCount 1
Feature 3D Hydrophobe Count 1
Feature 3D Ring Count 1
Effective RotCount 0
Conformer Sampling RMSD 0.4
CID Conformer Count 1

2. Structure descriptors of 4-Bromo-2,6-dimethylphenol

IUPAC Name: 4-bromo-2,6-dimethylphenol

InChI: InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N

Canonical SMILES : CC1=CC(=CC(=C1O)C)Br

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