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17346-16-6 | 3-Pentanone, 2,4-dibromo-2,4-dimethyl-
CAS No: 17346-16-6 Catalog No: AG001YXN MDL No:
Product Description
Catalog Number:
AG001YXN
Chemical Name:
3-Pentanone, 2,4-dibromo-2,4-dimethyl-
CAS Number:
17346-16-6
Molecular Formula:
C7H12Br2O
Molecular Weight:
271.9776
IUPAC Name:
2,4-dibromo-2,4-dimethylpentan-3-one
InChI:
InChI=1S/C7H12Br2O/c1-6(2,8)5(10)7(3,4)9/h1-4H3
InChI Key:
SWSOAIMZWLDPST-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)C(Br)(C)C
NSC Number:
120442
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.923g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.98g/mol
Monoisotopic Mass:
269.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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