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7474-86-4 | 1,4-Naphthalenediol, 2,3-dichloro-
CAS No: 7474-86-4 Catalog No: AG005HC5 MDL No:
Product Description
Catalog Number:
AG005HC5
Chemical Name:
1,4-Naphthalenediol, 2,3-dichloro-
CAS Number:
7474-86-4
Molecular Formula:
C10H6Cl2O2
Molecular Weight:
229.0594
IUPAC Name:
2,3-dichloronaphthalene-1,4-diol
InChI:
InChI=1S/C10H6Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4,13-14H
InChI Key:
NSMQVSICUVTJPT-UHFFFAOYSA-N
SMILES:
Oc1c(Cl)c(Cl)c(c2c1cccc2)O
NSC Number:
401104
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.056g/mol
Monoisotopic Mass:
227.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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