2-(2-Amino-5-nitrobenzene-1-sulfonyl)ethan-1-ol

HCID 13628654
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Basic information

CAS
100377-83-1
Standard SMILES
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCO
InChIKey
IOGPECJEONFHMI-UHFFFAOYSA-N
Molecular formula
C8H10N2O5S
Average molar mass
246.24 g/mol
Monoisotopic mass
246.0310426

Names & identifiers

Preferred name
2-(2-Amino-5-nitrobenzene-1-sulfonyl)ethan-1-ol
IUPAC
2-(2-amino-5-nitrophenyl)sulfonylethanol

Names & synonyms

100377-83-1DTXSID505454112-(2-Amino-5-nitrobenzene-1-sulfonyl)ethan-1-olRefChem:250383DTXCID90496195Ethanol, 2-[(2-amino-5-nitrophenyl)sulfonyl]-2-(2-amino-5-nitrophenyl)sulfonylethanolSCHEMBL9877593

Database identifiers

CAS
100377-83-1
PubChem CID
13628654
DTXSID
DTXSID50545411

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
135 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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