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100377-83-1 | Ethanol, 2-[(2-amino-5-nitrophenyl)sulfonyl]-
CAS No: 100377-83-1 Catalog No: AG0001TA MDL No:
Product Description
Catalog Number:
AG0001TA
Chemical Name:
Ethanol, 2-[(2-amino-5-nitrophenyl)sulfonyl]-
CAS Number:
100377-83-1
Molecular Formula:
C8H10N2O5S
Molecular Weight:
246.2404
IUPAC Name:
2-(2-amino-5-nitrophenyl)sulfonylethanol
InChI:
InChI=1S/C8H10N2O5S/c9-7-2-1-6(10(12)13)5-8(7)16(14,15)4-3-11/h1-2,5,11H,3-4,9H2
InChI Key:
IOGPECJEONFHMI-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cc(ccc1N)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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