CAS
912635-72-4 Purity
96%
912635-72-4 Purity
96%
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2-(2-Methoxyanilino)-5-nitrobenzenesulfonic acid
CAS
91-27-0
Catalog Number
ACM91270
Category
Other Products
Molecular Weight
324.309 g/mol
Molecular Formula
C13H12N2O6S
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Specification
Synonyms
CID66668, EINECS 202-055-8, 2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid, 91-27-0
IUPAC Name
2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid
Canonical SMILES
COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
InChI Key
UVZAZEGYBWJOKY-UHFFFAOYSA-N
Density
1.514g/cm³
EC Number
202-055-8
Exact Mass
324.04200
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 66668?
The molecular formula is C13H12N2O6S.
When was the compound created and modified?
The compound was created on August 8, 2005, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H12N2O6S/c1-21-12-5-3-2-4-10(12)14-11-7-6-9(15(16)17)8-13(11)22(18,19)20/h2-8,14H,1H3,(H,18,19,20).
What is the InChIKey of the compound?
The InChIKey of the compound is UVZAZEGYBWJOKY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 91-27-0.
What is the European Community (EC) number of the compound?
The European Community (EC) number of the compound is 202-055-8.
What is the molecular weight of the compound?
The molecular weight of the compound is 324.31 g/mol.
How many hydrogen bond donor and acceptor counts does the compound have?
The compound has a hydrogen bond donor count of 2 and a hydrogen bond acceptor count of 7.
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