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68052-44-8 | 1-NAPHTHALENOL, 2,4-DINITROSO-
CAS No: 68052-44-8 Catalog No: AG005NNH MDL No:
Product Description
Catalog Number:
AG005NNH
Chemical Name:
1-NAPHTHALENOL, 2,4-DINITROSO-
CAS Number:
68052-44-8
Molecular Formula:
C10H6N2O3
Molecular Weight:
202.1662
IUPAC Name:
2,4-dinitrosonaphthalen-1-ol
InChI:
InChI=1S/C10H6N2O3/c13-10-7-4-2-1-3-6(7)8(11-14)5-9(10)12-15/h1-5,13H
InChI Key:
HCQUKMQNUZDSHU-UHFFFAOYSA-N
SMILES:
O=Nc1cc(N=O)c(c2c1cccc2)O
EC Number:
268-323-1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.169g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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