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16269-27-5 | 1(2H)-Acenaphthylenone, 2-bromo-
CAS No: 16269-27-5 Catalog No: AG001TBE MDL No:
Product Description
Catalog Number:
AG001TBE
Chemical Name:
1(2H)-Acenaphthylenone, 2-bromo-
CAS Number:
16269-27-5
Molecular Formula:
C12H7BrO
Molecular Weight:
247.0874
IUPAC Name:
2-bromo-2H-acenaphthylen-1-one
InChI:
InChI=1S/C12H7BrO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11H
InChI Key:
NQYZVLKAPNCXBQ-UHFFFAOYSA-N
SMILES:
BrC1c2cccc3c2c(C1=O)ccc3
NSC Number:
128361
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.091g/mol
Monoisotopic Mass:
245.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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