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Home > Nitro Compounds > 89841-15-6
89841-15-6 | 1-Naphthalenemethanesulfonic acid, 2-nitro-, 2,2-dimethylpropyl ester
CAS No: 89841-15-6 Catalog No: AG003WVV MDL No:
Product Description
Catalog Number:
AG003WVV
Chemical Name:
1-Naphthalenemethanesulfonic acid, 2-nitro-, 2,2-dimethylpropyl ester
CAS Number:
89841-15-6
Molecular Formula:
C16H19NO5S
Molecular Weight:
337.3908
IUPAC Name:
2,2-dimethylpropyl (2-nitronaphthalen-1-yl)methanesulfonate
InChI:
InChI=1S/C16H19NO5S/c1-16(2,3)11-22-23(20,21)10-14-13-7-5-4-6-12(13)8-9-15(14)17(18)19/h4-9H,10-11H2,1-3H3
InChI Key:
OYTUGZRBPVKJIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1CS(=O)(=O)OCC(C)(C)C)cccc2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.39g/mol
Monoisotopic Mass:
337.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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