Naphthalen-2-yl-boron

C10H7B — CID 20596918

IUPAC—
SMILES[B]c1ccc2ccccc2c1
InChIInChI=1S/C10H7B/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyGCWSSSZTLAHTRB-UHFFFAOYSA-N
MW137.98 g/mol
LogP1.63
Rot. Bonds

About Naphthalen-2-yl-boron

Naphthalen-2-yl-boron (PubChem CID 20596918) has the molecular formula C10H7B and a molecular weight of 137.98 g/mol.

Molecular Properties

Compound NameNaphthalen-2-yl-boron
PubChem CID20596918
Molecular FormulaC10H7B
Molecular Weight137.98 g/mol
Exact Mass138.06
IUPAC Name—
SMILES[B]c1ccc2ccccc2c1
InChIInChI=1S/C10H7B/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyGCWSSSZTLAHTRB-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.98
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

anthracene;naphthalene;phenanthrene
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2,6-dimethylnaphthalene;2-methylnaphthalene
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anthracene;benzene;naphthalene
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benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
naphthalene
CID 10240860
naphthalene
CID 21288458
CID 146819337
CID 146819337
anthracene;ethane;naphthalene
CID 159079166
lithium;hydride;2-methylnaphthalene
CID 175090071
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203

Frequently Asked Questions

What is the IUPAC name of Naphthalen-2-yl-boron?
The IUPAC name of Naphthalen-2-yl-boron (CID 20596918) is not available.
What is the SMILES notation for Naphthalen-2-yl-boron?
The canonical SMILES for Naphthalen-2-yl-boron is [B]c1ccc2ccccc2c1.
What is the InChIKey of Naphthalen-2-yl-boron?
The InChIKey is GCWSSSZTLAHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7B/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of Naphthalen-2-yl-boron?
Naphthalen-2-yl-boron has a molecular weight of 137.98 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Naphthalen-2-yl-boron is sourced from PubChem (CID 20596918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).