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Methyl 11-Bromoundecanoate

CAT: 0572-TRC-M296585-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M296585-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6287-90-7
Synonyms
11-bromo-Undecanoic acid methyl ester; 11-bromo-Hendecanoic acid methyl ester; 11-Bromoundecanoic acid methyl ester; NSC 12015
Hazard Statement
No Data Available
Smiles
COC(=O)CCCCCCCCCCBr
Molecular Formula
C12H23O2Br
Molecular Weight
279.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 11-bromoundecanoate
CAS Number6287-90-7
PubChem CID223913
IUPAC Namemethyl 11-bromoundecanoate
Molecular FormulaC12H23BrO2
Molecular Weight279.21
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity149
SMILES
COC(=O)CCCCCCCCCCBr
InChI
InChI=1S/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKey
HFNPVFKUZYCDIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 11-bromoundecanoate
CAS: 6287-90-7
CID: 223913
Formula: C12H23BrO2
MW: 279.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.21
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass278.08814
Monoisotopic Mass278.08814
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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