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2050-49-9 | 1-Naphthalenol, 2,4-dibromo-
CAS No: 2050-49-9 Catalog No: AG0029T2 MDL No:MFCD00059130
Product Description
Catalog Number:
AG0029T2
Chemical Name:
1-Naphthalenol, 2,4-dibromo-
CAS Number:
2050-49-9
Molecular Formula:
C10H6Br2O
Molecular Weight:
301.9620
MDL Number:
MFCD00059130
IUPAC Name:
2,4-dibromonaphthalen-1-ol
InChI:
InChI=1S/C10H6Br2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChI Key:
PSGUDVJPEWTBRM-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1O)cccc2
NSC Number:
6230
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.876g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.965g/mol
Monoisotopic Mass:
299.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| 2,4-Dibromo-naphthalen-1-ol. | Acta crystallographica. Section E, Structure reports online 20110801 |
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