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168701-53-9 | Benzenediazonium, 4-(hydroxymethyl)-, sulfate (1:1)
CAS No: 168701-53-9 Catalog No: AG001Y8M MDL No:
Product Description
Catalog Number:
AG001Y8M
Chemical Name:
Benzenediazonium, 4-(hydroxymethyl)-, sulfate (1:1)
CAS Number:
168701-53-9
Molecular Formula:
C7H8N2O5S
Molecular Weight:
232.2138
IUPAC Name:
hydrogen sulfate;4-(hydroxymethyl)benzenediazonium
InChI:
InChI=1S/C7H7N2O.H2O4S/c8-9-7-3-1-6(5-10)2-4-7;1-5(2,3)4/h1-4,10H,5H2;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
INGWLPUDABKDQT-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.OCc1ccc(cc1)[N+]#N
UNII:
UF6514B4IM
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.21g/mol
Monoisotopic Mass:
232.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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