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1257665-20-5 molecular structure
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4-(2-bromo-5-chlorophenyl)morpholine

ChemBase ID: 290244
Molecular Formular: C10H11BrClNO
Molecular Mass: 276.55744
Monoisotopic Mass: 274.97125366
SMILES and InChIs

SMILES:
Clc1ccc(Br)c(N2CCOCC2)c1
Canonical SMILES:
Brc1ccc(cc1N1CCOCC1)Cl
InChI:
InChI=1S/C10H11BrClNO/c11-9-2-1-8(12)7-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKey:
BBOQXICRCYNALX-UHFFFAOYSA-N

Cite this record

CBID:290244 http://www.chembase.cn/molecule-290244.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-bromo-5-chlorophenyl)morpholine
IUPAC Traditional name
4-(2-bromo-5-chlorophenyl)morpholine
Synonyms
4-(2-Bromo-5-chlorophenyl)morpholine
CAS Number
1257665-20-5
PubChem SID
180675775
PubChem CID
53217037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229087 Please log in.
Data Source Data ID
PubChem 53217037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2355864  LogD (pH = 7.4) 3.2355866 
Log P 3.2355866  Molar Refractivity 61.9887 cm3
Polarizability 23.5459 Å3 Polar Surface Area 12.47 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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