2-bromo-7-chlorophenanthrene

C14H8BrCl — CID 177099004

IUPAC2-bromo-7-chlorophenanthrene
SMILESClc1ccc2c(ccc3cc(Br)ccc32)c1
InChIInChI=1S/C14H8BrCl/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)13/h1-8H
InChIKeyZJZJVIYBDCDYAO-UHFFFAOYSA-N
MW291.58 g/mol
LogP5.41
Rot. Bonds

About 2-bromo-7-chlorophenanthrene

2-bromo-7-chlorophenanthrene (PubChem CID 177099004) has the molecular formula C14H8BrCl and a molecular weight of 291.58 g/mol. Its IUPAC name is 2-bromo-7-chlorophenanthrene.

Molecular Properties

Compound Name2-bromo-7-chlorophenanthrene
PubChem CID177099004
Molecular FormulaC14H8BrCl
Molecular Weight291.58 g/mol
Exact Mass289.95
IUPAC Name2-bromo-7-chlorophenanthrene
SMILESClc1ccc2c(ccc3cc(Br)ccc32)c1
InChIInChI=1S/C14H8BrCl/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)13/h1-8H
InChIKeyZJZJVIYBDCDYAO-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-chloroanthracene
CID 22728523
2,6-dichlorophenanthrene
CID 123290984
6-bromo-1,3-dichloronaphthalene
CID 90487701
6-bromo-2-chloro-9-(3-chloropropoxy)anthracene
CID 21280806
2-bromo-8-chlorophenazine
CID 119028483
9,23-dibromo-16-thiaheptacyclo[15.12.0.02,15.05,14.06,11.018,27.021,26]nonacosa-1(17),2(15),3,5(14),6(11),7,9,12,18(27),19,21(26),22,24,28-tetradecaene
CID 156554321
2,6-dibromonaphthalene
CID 640591
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
7-bromophenanthrene-2-carbonitrile
CID 129104826
4-bromo-7-chloroisoquinoline;ethane
CID 167508730
3-bromo-7,12-dideuteriobenzo[a]anthracene
CID 59412531
6-bromo-2-methylphenanthrene
CID 15159136

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chlorophenanthrene?
The IUPAC name of 2-bromo-7-chlorophenanthrene (CID 177099004) is 2-bromo-7-chlorophenanthrene.
What is the SMILES notation for 2-bromo-7-chlorophenanthrene?
The canonical SMILES for 2-bromo-7-chlorophenanthrene is Clc1ccc2c(ccc3cc(Br)ccc32)c1.
What is the InChIKey of 2-bromo-7-chlorophenanthrene?
The InChIKey is ZJZJVIYBDCDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)13/h1-8H.
What are the key properties of 2-bromo-7-chlorophenanthrene?
2-bromo-7-chlorophenanthrene has a molecular weight of 291.58 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chlorophenanthrene is sourced from PubChem (CID 177099004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).