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263349-24-2 molecular structure
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3-bromo-4-(morpholin-4-yl)benzaldehyde

ChemBase ID: 15996
Molecular Formular: C11H12BrNO2
Molecular Mass: 270.12248
Monoisotopic Mass: 269.00514063
SMILES and InChIs

SMILES:
C(=O)c1cc(c(cc1)N1CCOCC1)Br
Canonical SMILES:
O=Cc1ccc(c(c1)Br)N1CCOCC1
InChI:
InChI=1S/C11H12BrNO2/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChIKey:
ARPSCKOKVZPRIN-UHFFFAOYSA-N

Cite this record

CBID:15996 http://www.chembase.cn/molecule-15996.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-4-(morpholin-4-yl)benzaldehyde
IUPAC Traditional name
3-bromo-4-(morpholin-4-yl)benzaldehyde
Synonyms
3-Bromo-4-(N-morpholino)benzaldehyde
CAS Number
263349-24-2
MDL Number
MFCD06656549
PubChem SID
160979303
PubChem CID
23506020

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23506020 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3440442  LogD (pH = 7.4) 2.3440442 
Log P 2.3440442  Molar Refractivity 63.7679 cm3
Polarizability 23.540298 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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