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1578-05-8 | 2-Butanone, 1,1,3-tribromo-3-methyl-
CAS No: 1578-05-8 Catalog No: AG001PQ9 MDL No:
Product Description
Catalog Number:
AG001PQ9
Chemical Name:
2-Butanone, 1,1,3-tribromo-3-methyl-
CAS Number:
1578-05-8
Molecular Formula:
C5H7Br3O
Molecular Weight:
322.8205
IUPAC Name:
1,1,3-tribromo-3-methylbutan-2-one
InChI:
InChI=1S/C5H7Br3O/c1-5(2,8)3(9)4(6)7/h4H,1-2H3
InChI Key:
HEYKFXBVIXZIFB-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C(Br)(C)C)Br
NSC Number:
1027
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.803g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.822g/mol
Monoisotopic Mass:
319.805g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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