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79434-89-2 | Octane, 1-bromo-3,7-dimethyl-, (3S)-
CAS No: 79434-89-2 Catalog No: AG0051W2 MDL No:
Product Description
Catalog Number:
AG0051W2
Chemical Name:
Octane, 1-bromo-3,7-dimethyl-, (3S)-
CAS Number:
79434-89-2
Molecular Formula:
C10H21Br
Molecular Weight:
221.1777
IUPAC Name:
(3S)-1-bromo-3,7-dimethyloctane
InChI:
InChI=1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChI Key:
VGSUDZKDSKCYJP-JTQLQIEISA-N
SMILES:
BrCC[C@H](CCCC(C)C)C
Properties
Complexity:
78.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.182g/mol
Monoisotopic Mass:
220.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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