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13651-05-3 | Ethanone, 2,2-dibromo-1-(2-naphthalenyl)-
CAS No: 13651-05-3 Catalog No: AG0011XR MDL No:
Product Description
Catalog Number:
AG0011XR
Chemical Name:
Ethanone, 2,2-dibromo-1-(2-naphthalenyl)-
CAS Number:
13651-05-3
Molecular Formula:
C12H8Br2O
Molecular Weight:
327.9993
IUPAC Name:
2,2-dibromo-1-naphthalen-2-ylethanone
InChI:
InChI=1S/C12H8Br2O/c13-12(14)11(15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H
InChI Key:
QUPXDNYLSHFPBQ-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccc2c(c1)cccc2)Br
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.892g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.003g/mol
Monoisotopic Mass:
325.894g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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