CID 174002657

C14H12B2 — CID 174002657

IUPAC—
SMILES[B]c1ccc(-c2ccc([B])c(C)c2)cc1C
InChIInChI=1S/C14H12B2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyBCVVMUXKFGDIEJ-UHFFFAOYSA-N
MW201.87 g/mol
LogP1.56
Rot. Bonds1

About CID 174002657

CID 174002657 (PubChem CID 174002657) has the molecular formula C14H12B2 and a molecular weight of 201.87 g/mol.

Molecular Properties

Compound NameCID 174002657
PubChem CID174002657
Molecular FormulaC14H12B2
Molecular Weight201.87 g/mol
Exact Mass202.11
IUPAC Name—
SMILES[B]c1ccc(-c2ccc([B])c(C)c2)cc1C
InChIInChI=1S/C14H12B2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
InChIKeyBCVVMUXKFGDIEJ-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.87
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174002657?
The IUPAC name of CID 174002657 (CID 174002657) is not available.
What is the SMILES notation for CID 174002657?
The canonical SMILES for CID 174002657 is [B]c1ccc(-c2ccc([B])c(C)c2)cc1C.
What is the InChIKey of CID 174002657?
The InChIKey is BCVVMUXKFGDIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12B2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3.
What are the key properties of CID 174002657?
CID 174002657 has a molecular weight of 201.87 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174002657 is sourced from PubChem (CID 174002657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).