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113538-65-1 | 1-Naphthalenol, 2,3-dinitro-
CAS No: 113538-65-1 Catalog No: AG0008Y2 MDL No:
Product Description
Catalog Number:
AG0008Y2
Chemical Name:
1-Naphthalenol, 2,3-dinitro-
CAS Number:
113538-65-1
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
2,3-dinitronaphthalen-1-ol
InChI:
InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)5-8(11(14)15)9(10)12(16)17/h1-5,13H
InChI Key:
KCQORPKRJCTRID-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cc2c(c1O)cccc2)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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