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1577-29-3 | 2-Pentanone, 1,3-dibromo-4-methyl-
CAS No: 1577-29-3 Catalog No: AG001PNC MDL No:
Product Description
Catalog Number:
AG001PNC
Chemical Name:
2-Pentanone, 1,3-dibromo-4-methyl-
CAS Number:
1577-29-3
Molecular Formula:
C6H10Br2O
Molecular Weight:
257.9510
IUPAC Name:
1,3-dibromo-4-methylpentan-2-one
InChI:
InChI=1S/C6H10Br2O/c1-4(2)6(8)5(9)3-7/h4,6H,3H2,1-2H3
InChI Key:
HMEBPZUIUZXVFU-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C(C)C)Br
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.908g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.953g/mol
Monoisotopic Mass:
255.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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