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Home > Nitro Compounds > 116397-85-4
116397-85-4 | 2-Naphthalenol, dinitro- (9CI)
CAS No: 116397-85-4 Catalog No: AG000CEI MDL No:
Product Description
Catalog Number:
AG000CEI
Chemical Name:
2-Naphthalenol, dinitro- (9CI)
CAS Number:
116397-85-4
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
1,3-dinitronaphthalen-2-ol
InChI:
InChI=1S/C10H6N2O5/c13-10-8(11(14)15)5-6-3-1-2-4-7(6)9(10)12(16)17/h1-5,13H
InChI Key:
GUHSFUVMQXIKSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c2ccccc2cc(c1O)[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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