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28598-82-5 | Octane, 1-bromo-8-chloro-
CAS No: 28598-82-5 Catalog No: AG002VS9 MDL No:MFCD00270285
Product Description
Catalog Number:
AG002VS9
Chemical Name:
Octane, 1-bromo-8-chloro-
CAS Number:
28598-82-5
Molecular Formula:
C8H16BrCl
Molecular Weight:
227.5696
MDL Number:
MFCD00270285
IUPAC Name:
1-bromo-8-chlorooctane
InChI:
InChI=1S/C8H16BrCl/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChI Key:
MRESICPRNLSPPL-UHFFFAOYSA-N
SMILES:
ClCCCCCCCCBr
Properties
Complexity:
57.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.012g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.57g/mol
Monoisotopic Mass:
226.012g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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