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16631-25-7 molecular structure
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methyl 2-bromotetradecanoate

ChemBase ID: 173408
Molecular Formular: C15H29BrO2
Molecular Mass: 321.29356
Monoisotopic Mass: 320.13509217
SMILES and InChIs

SMILES:
CCCCCCCCCCCCC(C(=O)OC)Br
Canonical SMILES:
CCCCCCCCCCCCC(C(=O)OC)Br
InChI:
InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3
InChIKey:
NTDPLPAGWMERRU-UHFFFAOYSA-N

Cite this record

CBID:173408 http://www.chembase.cn/molecule-173408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-bromotetradecanoate
IUPAC Traditional name
methyl 2-bromotetradecanoate
Synonyms
Methyl 2-Bromotetradecanoate
Methyl 2-Bromo-1-tetradecanoate
2-Bromo-tetradecanoic Acid Methyl Ester
Methyl α-Bromo Myristate
CAS Number
16631-25-7
PubChem SID
164229318
PubChem CID
86045

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M294300 external link Add to cart
PubChem 86045 external link
Data Source Data ID Price
TRC
M294300 external link Add to cart Please log in.
Data Source Data ID
PubChem 86045 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.1823606  LogD (pH = 7.4) 6.1823606 
Log P 6.1823606  Molar Refractivity 80.1774 cm3
Polarizability 31.75753 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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