Octanoic acid, 2-bromo-


Chemical Name: Octanoic acid, 2-bromo-
CAS Number: 2623-82-7
Product Number: AG002SDG(AGN-PC-0JLZJ6)
Synonyms:
MDL No:
Molecular Formula: C8H15BrO2
Molecular Weight: 223.1075

Identification/Properties


Properties
BP:
281.4°C at 760 mmHg
Computed Properties
Molecular Weight:
223.11g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
222.026g/mol
Monoisotopic Mass:
222.026g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
115
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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