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1577-95-3 | 2-Octanone, 1,3-dibromo-
CAS No: 1577-95-3 Catalog No: AG001PN3 MDL No:
Product Description
Catalog Number:
AG001PN3
Chemical Name:
2-Octanone, 1,3-dibromo-
CAS Number:
1577-95-3
Molecular Formula:
C8H14Br2O
Molecular Weight:
286.0042
IUPAC Name:
1,3-dibromooctan-2-one
InChI:
InChI=1S/C8H14Br2O/c1-2-3-4-5-7(10)8(11)6-9/h7H,2-6H2,1H3
InChI Key:
HKOOGYYHLSPIJR-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)CBr)Br
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.939g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.007g/mol
Monoisotopic Mass:
283.941g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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