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Home > Nitro Compounds > 133152-71-3
133152-71-3 | Sulfonium, (4-hydroxyphenyl)methyl[(4-nitrophenyl)methyl]-, chloride (1:1)
CAS No: 133152-71-3 Catalog No: AG0014BT MDL No:
Product Description
Catalog Number:
AG0014BT
Chemical Name:
Sulfonium, (4-hydroxyphenyl)methyl[(4-nitrophenyl)methyl]-, chloride (1:1)
CAS Number:
133152-71-3
Molecular Formula:
C14H14ClNO3S
Molecular Weight:
311.7839
IUPAC Name:
(4-hydroxyphenyl)-methyl-[(4-nitrophenyl)methyl]sulfanium;chloride
InChI:
InChI=1S/C14H13NO3S.ClH/c1-19(14-8-6-13(16)7-9-14)10-11-2-4-12(5-3-11)15(17)18;/h2-9H,10H2,1H3;1H
InChI Key:
WABYAYKHKKTHMG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)[S+](Cc1ccc(cc1)[N+](=O)[O-])C.[Cl-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.78g/mol
Monoisotopic Mass:
311.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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