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1801-20-3 | 1H-Indene-1,3(2H)-dione, 2-bromo-2-phenyl-
CAS No: 1801-20-3 Catalog No: AG0021PH MDL No:
Product Description
Catalog Number:
AG0021PH
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-bromo-2-phenyl-
CAS Number:
1801-20-3
Molecular Formula:
C15H9BrO2
Molecular Weight:
301.1348
IUPAC Name:
2-bromo-2-phenylindene-1,3-dione
InChI:
InChI=1S/C15H9BrO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H
InChI Key:
GEUAEOKKYUSIJF-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C1(Br)c1ccccc1
NSC Number:
267317
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.139g/mol
Monoisotopic Mass:
299.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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