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Home > Nitro Compounds > 89090-09-5
89090-09-5 | 4-nitrobenzyl hydrogen sulfate
CAS No: 89090-09-5 Catalog No: AG003ZZF MDL No:
Product Description
Catalog Number:
AG003ZZF
Chemical Name:
4-nitrobenzyl hydrogen sulfate
CAS Number:
89090-09-5
Molecular Formula:
C7H7NO6S
Molecular Weight:
233.1986
IUPAC Name:
(4-nitrophenyl)methyl hydrogen sulfate
InChI:
InChI=1S/C7H7NO6S/c9-8(10)7-3-1-6(2-4-7)5-14-15(11,12)13/h1-4H,5H2,(H,11,12,13)
InChI Key:
FXFRYNLETONTFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)COS(=O)(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.194g/mol
Monoisotopic Mass:
232.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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