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Home > Nitro Compounds > 95665-52-4
95665-52-4 | 1-Naphthalenol, 4-methoxy-2-[(6-methyl-4-nitro-2-pyridinyl)azo]-
CAS No: 95665-52-4 Catalog No: AG00H8LT MDL No:
Product Description
Catalog Number:
AG00H8LT
Chemical Name:
1-Naphthalenol, 4-methoxy-2-[(6-methyl-4-nitro-2-pyridinyl)azo]-
CAS Number:
95665-52-4
Molecular Formula:
C17H14N4O4
Molecular Weight:
338.3175
IUPAC Name:
4-methoxy-2-[(6-methyl-4-nitropyridin-2-yl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C17H14N4O4/c1-10-7-11(21(23)24)8-16(18-10)20-19-14-9-15(25-2)12-5-3-4-6-13(12)17(14)22/h3-9,22H,1-2H3
InChI Key:
VWFAJAIPFJMWPO-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2nc(C)cc(c2)[N+](=O)[O-])c(c2c1cccc2)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.323g/mol
Monoisotopic Mass:
338.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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