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Home > Nitro Compounds > 90104-77-1
90104-77-1 | Naphthalene, 2-(methylthio)-1-nitro-
CAS No: 90104-77-1 Catalog No: AG00H7RN MDL No:
Product Description
Catalog Number:
AG00H7RN
Chemical Name:
Naphthalene, 2-(methylthio)-1-nitro-
CAS Number:
90104-77-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
2-methylsulfanyl-1-nitronaphthalene
InChI:
InChI=1S/C11H9NO2S/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChI Key:
GYWRZGDCDJHJJA-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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