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1574-18-1 | 1-Naphthalenol, 5,8-dichloro-
CAS No: 1574-18-1 Catalog No: AG001PG2 MDL No:MFCD00464320
Product Description
Catalog Number:
AG001PG2
Chemical Name:
1-Naphthalenol, 5,8-dichloro-
CAS Number:
1574-18-1
Molecular Formula:
C10H6Cl2O
Molecular Weight:
213.0600
MDL Number:
MFCD00464320
IUPAC Name:
5,8-dichloronaphthalen-1-ol
InChI:
InChI=1S/C10H6Cl2O/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5,13H
InChI Key:
KEGNUIZNBCHWLZ-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(Cl)ccc2Cl
EC Number:
216-398-6
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.057g/mol
Monoisotopic Mass:
211.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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