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83278-47-1 | Hexane, 1,5-dibromo-3-methyl-
CAS No: 83278-47-1 Catalog No: AG0055VM MDL No:
Product Description
Catalog Number:
AG0055VM
Chemical Name:
Hexane, 1,5-dibromo-3-methyl-
CAS Number:
83278-47-1
Molecular Formula:
C7H14Br2
Molecular Weight:
257.9941
IUPAC Name:
1,5-dibromo-3-methylhexane
InChI:
InChI=1S/C7H14Br2/c1-6(3-4-8)5-7(2)9/h6-7H,3-5H2,1-2H3
InChI Key:
FXEBZNQOIFJQLZ-UHFFFAOYSA-N
SMILES:
BrCCC(CC(Br)C)C
Properties
Complexity:
63.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.944g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.997g/mol
Monoisotopic Mass:
255.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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