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1191-24-8 | Octane, 2-bromo-, (2S)-
CAS No: 1191-24-8 Catalog No: AG000I6R MDL No:
Product Description
Catalog Number:
AG000I6R
Chemical Name:
Octane, 2-bromo-, (2S)-
CAS Number:
1191-24-8
Molecular Formula:
C8H17Br
Molecular Weight:
193.1246
IUPAC Name:
(2S)-2-bromooctane
InChI:
InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3/t8-/m0/s1
InChI Key:
FTJHYGJLHCGQHQ-QMMMGPOBSA-N
SMILES:
CCCCCC[C@@H](Br)C
UNII:
A3A2KWD38T
Properties
Complexity:
52.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.128g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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