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101420-83-1 | 2,4,6-Cycloheptatrien-1-one, 2,6-dibromo-
CAS No: 101420-83-1 Catalog No: AG0004H0 MDL No:
Product Description
Catalog Number:
AG0004H0
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2,6-dibromo-
CAS Number:
101420-83-1
Molecular Formula:
C7H4Br2O
Molecular Weight:
263.9141
IUPAC Name:
2,6-dibromocyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H4Br2O/c8-5-2-1-3-6(9)7(10)4-5/h1-4H
InChI Key:
KVPLEUKVQYESBG-UHFFFAOYSA-N
SMILES:
Brc1cccc(c(=O)c1)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.861g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.916g/mol
Monoisotopic Mass:
261.863g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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