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127839-46-7 | Octane, 1-bromo-2-methyl-
CAS No: 127839-46-7 Catalog No: AG000XGC MDL No:MFCD02258484
Product Description
Catalog Number:
AG000XGC
Chemical Name:
Octane, 1-bromo-2-methyl-
CAS Number:
127839-46-7
Molecular Formula:
C9H19Br
Molecular Weight:
207.1512
MDL Number:
MFCD02258484
IUPAC Name:
1-bromo-2-methyloctane
InChI:
InChI=1S/C9H19Br/c1-3-4-5-6-7-9(2)8-10/h9H,3-8H2,1-2H3
InChI Key:
XHYRIXNUUUUPAL-UHFFFAOYSA-N
SMILES:
CCCCCCC(CBr)C
Properties
Complexity:
61.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.155g/mol
Monoisotopic Mass:
206.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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