9-(bromomethyl)-10-chlorophenanthrene

C15H10BrCl — CID 614395

IUPAC9-(bromomethyl)-10-chlorophenanthrene
SMILESClc1c(CBr)c2ccccc2c2ccccc12
InChIInChI=1S/C15H10BrCl/c16-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)15(14)17/h1-8H,9H2
InChIKeyGNTVPLOCFBCPBA-UHFFFAOYSA-N
MW305.60 g/mol
LogP5.54
Rot. Bonds1

About 9-(bromomethyl)-10-chlorophenanthrene

9-(bromomethyl)-10-chlorophenanthrene (PubChem CID 614395) has the molecular formula C15H10BrCl and a molecular weight of 305.60 g/mol. Its IUPAC name is 9-(bromomethyl)-10-chlorophenanthrene.

Molecular Properties

Compound Name9-(bromomethyl)-10-chlorophenanthrene
PubChem CID614395
Molecular FormulaC15H10BrCl
Molecular Weight305.60 g/mol
Exact Mass303.97
IUPAC Name9-(bromomethyl)-10-chlorophenanthrene
SMILESClc1c(CBr)c2ccccc2c2ccccc12
InChIInChI=1S/C15H10BrCl/c16-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)15(14)17/h1-8H,9H2
InChIKeyGNTVPLOCFBCPBA-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)-10-chlorophenanthrene?
The IUPAC name of 9-(bromomethyl)-10-chlorophenanthrene (CID 614395) is 9-(bromomethyl)-10-chlorophenanthrene.
What is the SMILES notation for 9-(bromomethyl)-10-chlorophenanthrene?
The canonical SMILES for 9-(bromomethyl)-10-chlorophenanthrene is Clc1c(CBr)c2ccccc2c2ccccc12.
What is the InChIKey of 9-(bromomethyl)-10-chlorophenanthrene?
The InChIKey is GNTVPLOCFBCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl/c16-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)15(14)17/h1-8H,9H2.
What are the key properties of 9-(bromomethyl)-10-chlorophenanthrene?
9-(bromomethyl)-10-chlorophenanthrene has a molecular weight of 305.60 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)-10-chlorophenanthrene is sourced from PubChem (CID 614395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).