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Home > Nitro Compounds > 88958-93-4
88958-93-4 | Naphthalene, 1-[3-methyl-1-(phenylsulfonyl)-2-butenyl]-4-nitro-
CAS No: 88958-93-4 Catalog No: AG0046QU MDL No:
Product Description
Catalog Number:
AG0046QU
Chemical Name:
Naphthalene, 1-[3-methyl-1-(phenylsulfonyl)-2-butenyl]-4-nitro-
CAS Number:
88958-93-4
Molecular Formula:
C21H19NO4S
Molecular Weight:
381.4449
IUPAC Name:
1-[1-(benzenesulfonyl)-3-methylbut-2-enyl]-4-nitronaphthalene
InChI:
InChI=1S/C21H19NO4S/c1-15(2)14-21(27(25,26)16-8-4-3-5-9-16)19-12-13-20(22(23)24)18-11-7-6-10-17(18)19/h3-14,21H,1-2H3
InChI Key:
KDMAMZWQLRPXOC-UHFFFAOYSA-N
SMILES:
CC(=CC(S(=O)(=O)c1ccccc1)c1ccc(c2c1cccc2)[N+](=O)[O-])C
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.103g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.446g/mol
Monoisotopic Mass:
381.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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