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82315-36-4 | 1-Naphthalenecarboxaldehyde, 5,7-dibromo-8-hydroxy-
CAS No: 82315-36-4 Catalog No: AG005GHE MDL No:
Product Description
Catalog Number:
AG005GHE
Chemical Name:
1-Naphthalenecarboxaldehyde, 5,7-dibromo-8-hydroxy-
CAS Number:
82315-36-4
Molecular Formula:
C11H6Br2O2
Molecular Weight:
329.9721
IUPAC Name:
5,7-dibromo-8-hydroxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C11H6Br2O2/c12-8-4-9(13)11(15)10-6(5-14)2-1-3-7(8)10/h1-5,15H
InChI Key:
NBSXNRVRVVFWMI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1c(O)c(Br)cc2Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.871g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.975g/mol
Monoisotopic Mass:
327.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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