CAS
912773-27-4 Purity
96%
912773-27-4 Purity
96%
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5-Nitro-2-p-toluidinobenzenesulfonic acid
CAS
91-28-1
Catalog Number
ACM91281
Category
Other Products
Molecular Weight
308.31 g/mol
Molecular Formula
C13H12N2O5S
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Specification
Synonyms
CID66669, EINECS 202-056-3, 5-Nitro-2-p-toluidinobenzenesulphonic acid, 91-28-1
IUPAC Name
2-(4-methylanilino)-5-nitrobenzenesulfonic acid
Canonical SMILES
CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
InChI Key
IXEBWGZZXCGASZ-UHFFFAOYSA-N
Density
1.493g/cm³
EC Number
202-056-3
Exact Mass
308.04700
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The molecular formula of 5-Nitro-2-p-toluidinobenzenesulfonic acid is C13H12N2O5S.
What is the molecular weight of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The molecular weight of 5-Nitro-2-p-toluidinobenzenesulfonic acid is 308.31 g/mol.
What is the IUPAC name of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The IUPAC name of 5-Nitro-2-p-toluidinobenzenesulfonic acid is 2-(4-methylanilino)-5-nitrobenzenesulfonic acid.
What is the InChI code for 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The InChI code for 5-Nitro-2-p-toluidinobenzenesulfonic acid is InChI=1S/C13H12N2O5S/c1-9-2-4-10(5-3-9)14-12-7-6-11(15(16)17)8-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20).
What is the InChIKey for 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The InChIKey for 5-Nitro-2-p-toluidinobenzenesulfonic acid is IXEBWGZZXCGASZ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The canonical SMILES representation of 5-Nitro-2-p-toluidinobenzenesulfonic acid is CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.
What is the CAS number of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The CAS number of 5-Nitro-2-p-toluidinobenzenesulfonic acid is 91-28-1.
What is the European Community (EC) number of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The European Community (EC) number of 5-Nitro-2-p-toluidinobenzenesulfonic acid is 202-056-3.
What is the XLogP3-AA value of 5-Nitro-2-p-toluidinobenzenesulfonic acid?
The XLogP3-AA value of 5-Nitro-2-p-toluidinobenzenesulfonic acid is 3.
Is 5-Nitro-2-p-toluidinobenzenesulfonic acid a canonicalized compound?
Yes, 5-Nitro-2-p-toluidinobenzenesulfonic acid is a canonicalized compound.
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