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200925-62-8 | Octane, 1-bromo-2,4,6-trimethyl-, (2R,4R,6R)-
CAS No: 200925-62-8 Catalog No: AG002D2U MDL No:
Product Description
Catalog Number:
AG002D2U
Chemical Name:
Octane, 1-bromo-2,4,6-trimethyl-, (2R,4R,6R)-
CAS Number:
200925-62-8
Molecular Formula:
C11H23Br
Molecular Weight:
235.2043
IUPAC Name:
(2R,4R,6R)-1-bromo-2,4,6-trimethyloctane
InChI:
InChI=1S/C11H23Br/c1-5-9(2)6-10(3)7-11(4)8-12/h9-11H,5-8H2,1-4H3/t9-,10-,11-/m1/s1
InChI Key:
RPGQNHOQFKUQBS-GMTAPVOTSA-N
SMILES:
CC[C@H](C[C@H](C[C@H](CBr)C)C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
234.098g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.209g/mol
Monoisotopic Mass:
234.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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