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1685-97-8 | 1H-Indene-1,3(2H)-dione, 2,2-dibromo-
CAS No: 1685-97-8 Catalog No: AG001Y42 MDL No:
Product Description
Catalog Number:
AG001Y42
Chemical Name:
1H-Indene-1,3(2H)-dione, 2,2-dibromo-
CAS Number:
1685-97-8
Molecular Formula:
C9H4Br2O2
Molecular Weight:
303.9349
IUPAC Name:
2,2-dibromoindene-1,3-dione
InChI:
InChI=1S/C9H4Br2O2/c10-9(11)7(12)5-3-1-2-4-6(5)8(9)13/h1-4H
InChI Key:
CQRUQZYEVHBSMD-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C1(Br)Br
NSC Number:
106637
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.856g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.937g/mol
Monoisotopic Mass:
301.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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