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Home > Nitro Compounds > 83364-68-5
83364-68-5 | 3-nitro-N-[(2-oxonaphthalen-1-ylidene)methyl]benzenesulfenamide
CAS No: 83364-68-5 Catalog No: AG00551F MDL No:
Product Description
Catalog Number:
AG00551F
Chemical Name:
3-nitro-N-[(2-oxonaphthalen-1-ylidene)methyl]benzenesulfenamide
CAS Number:
83364-68-5
Molecular Formula:
C17H12N2O3S
Molecular Weight:
324.3538
IUPAC Name:
1-[(3-nitrophenyl)sulfanyliminomethyl]naphthalen-2-ol
InChI:
InChI=1S/C17H12N2O3S/c20-17-9-8-12-4-1-2-7-15(12)16(17)11-18-23-14-6-3-5-13(10-14)19(21)22/h1-11,20H
InChI Key:
CZKNPCSWNBMVTO-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2c(C1=CNSc1cccc(c1)[N+](=O)[O-])cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.354g/mol
Monoisotopic Mass:
324.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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