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22426-14-8 molecular structure
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2-bromo-1,10-phenanthroline

ChemBase ID: 294209
Molecular Formular: C12H7BrN2
Molecular Mass: 259.10138
Monoisotopic Mass: 257.97926023
SMILES and InChIs

SMILES:
Brc1nc2c(cc1)ccc1cccnc21
Canonical SMILES:
Brc1ccc2c(n1)c1ncccc1cc2
InChI:
InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChIKey:
ZRJUDAZGVGIDLP-UHFFFAOYSA-N

Cite this record

CBID:294209 http://www.chembase.cn/molecule-294209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1,10-phenanthroline
IUPAC Traditional name
2-bromo-1,10-phenanthroline
Synonyms
2-Bromo-1,10-phenanthroline
CAS Number
22426-14-8
MDL Number
MFCD13152102
PubChem SID
180679740
PubChem CID
12830247

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD71425 Please log in.
Data Source Data ID
PubChem 12830247 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2569792  LogD (pH = 7.4) 3.2627556 
Log P 3.2628298  Molar Refractivity 62.3656 cm3
Polarizability 26.262686 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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