Methyl 2-Bromooctanoate - CAS 5445-22-7
Catalog: |
BB028668 |
Product Name: |
Methyl 2-Bromooctanoate |
CAS: |
5445-22-7 |
Synonyms: |
2-bromooctanoic acid methyl ester; methyl 2-bromooctanoate |
IUPAC Name: | methyl 2-bromooctanoate |
Description: | Methyl 2-Bromooctanoate (CAS# 5445-22-7 ) is a useful research chemical. |
Molecular Weight: | 237.13 |
Molecular Formula: | C9H17BrO2 |
Canonical SMILES: | CCCCCCC(C(=O)OC)Br |
InChI: | InChI=1S/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3 |
InChI Key: | RCMQQTUVWBXJQS-UHFFFAOYSA-N |
Boiling Point: | 227.7 °C at 760 mmHg |
Density: | 1.219 g/cm3 |
LogP: | 2.89330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.04119 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.04119 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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