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23078-55-9 | 2-Cyclopenten-1-one, 2,3,5-tribromo-4,4-dimethyl-
CAS No: 23078-55-9 Catalog No: AG002M53 MDL No:
Product Description
Catalog Number:
AG002M53
Chemical Name:
2-Cyclopenten-1-one, 2,3,5-tribromo-4,4-dimethyl-
CAS Number:
23078-55-9
Molecular Formula:
C7H7Br3O
Molecular Weight:
346.8419
IUPAC Name:
2,3,5-tribromo-4,4-dimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C7H7Br3O/c1-7(2)5(9)3(8)4(11)6(7)10/h6H,1-2H3
InChI Key:
GDOWPVPCUGJNFA-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C(C1Br)(C)C)Br)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.803g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.844g/mol
Monoisotopic Mass:
343.805g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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