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114562-64-0 | 1,8-Pyrenedione, 3-bromo-
CAS No: 114562-64-0 Catalog No: AG000EPD MDL No:
Product Description
Catalog Number:
AG000EPD
Chemical Name:
1,8-Pyrenedione, 3-bromo-
CAS Number:
114562-64-0
Molecular Formula:
C16H7BrO2
Molecular Weight:
311.1296
IUPAC Name:
3-bromopyrene-1,8-dione
InChI:
InChI=1S/C16H7BrO2/c17-12-7-14(19)11-5-4-10-13(18)6-2-8-1-3-9(12)16(11)15(8)10/h1-7H
InChI Key:
XUWVDZPUQZKFEX-UHFFFAOYSA-N
SMILES:
BrC1=CC(=O)c2c3c1ccc1c3c(cc2)C(=O)C=C1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.963g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.134g/mol
Monoisotopic Mass:
309.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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