beta-Methyl-alpha-bromonaphthalene NSC 36286 2-Methyl-1-bromonaphthalene
1.Introduction of 2586-62-1
With its CAS registry number of 2586-62-1, 1-bromo-2-methylnaphthalene has synonyms as 2-methyl-1-bromonaphthalene, beta-methyl-alpha-bromonaphthalene, 1-bromo-2-methylnaphthalene. It is a kind of white powder with purity of 98.0%, which is used as naphthalene derivatives, aryl, c9 to c12, halogenated hydrocarbons, building blocks, c9 to c12, chemical synthesis, halogenated hydrocarbons, organic building blocks.
2.Computed Properties of 2586-62-1
Molecular Weight: 221.09316 [g/mol]
Molecular Formula: C11H9Br
XLogP3-AA: 4.2
Exact Mass: 219.988762
MonoIsotopic Mass: 219.988762
Heavy Atom Count: 12
Complexity: 155
Covalently-Bonded Unit Count: 1
Feature 3D Hydrophobe Count: 1
Feature 3D Ring Count: 2
Conformer Sampling RMSD: 0.4
CID Conformer Count: 1
3.Structure Descriptors of 2586-62-1
(1)InChI: InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
(2)InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N
(3)Canonical SMILES : CC1=C(C2=CC=CC=C2C=C1)Br
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