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16230-28-7 | Hexane, 3,4-dibromo-, (3R,4R)-rel-
CAS No: 16230-28-7 Catalog No: AG001T02 MDL No:
Product Description
Catalog Number:
AG001T02
Chemical Name:
Hexane, 3,4-dibromo-, (3R,4R)-rel-
CAS Number:
16230-28-7
Molecular Formula:
C6H12Br2
Molecular Weight:
243.9675
IUPAC Name:
3,4-dibromohexane
InChI:
InChI=1S/C6H12Br2/c1-3-5(7)6(8)4-2/h5-6H,3-4H2,1-2H3
InChI Key:
VCQBYNRFLHNSKA-UHFFFAOYSA-N
SMILES:
CC[C@H]([C@@H](CC)Br)Br
Properties
Complexity:
46.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.929g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.97g/mol
Monoisotopic Mass:
241.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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