CAS
12217-79-7 Purity
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12217-79-7 Purity
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Disperse Red 54
CAS
12217-86-6
Catalog Number
ACM12217866
Category
Disperse Dyes
Molecular Weight
415.83
Molecular Formula
C19H18ClN5O4
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Specification
Synonyms
Methyl 3-[[4-(2-chloro-4-nitrophenyl)diazenylphenyl]-(2-cyanoethyl)amino]propanoate;Disperse Scarlet 3GFL;Disperse Red 54;Scarlet S-3GFL;Artisil Scarlet 3GFL;Disperse Red 3GFL;Dispersol Scarlet C-G;Ostacet Scarlet S-L-2G
What is the PubChem CID of Disperse Red 54?
The PubChem CID of Disperse Red 54 is 81174.
What is the molecular formula of Disperse Red 54?
The molecular formula of Disperse Red 54 is C19H18ClN5O4.
What is the molecular weight of Disperse Red 54?
The molecular weight of Disperse Red 54 is 415.8 g/mol.
What is the IUPAC Name of Disperse Red 54?
The IUPAC Name of Disperse Red 54 is methyl 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate.
What is the InChI of Disperse Red 54?
The InChI of Disperse Red 54 is InChI=1S/C19H18ClN5O4/c1-29-19(26)9-12-24(11-2-10-21)15-5-3-14(4-6-15)22-23-18-8-7-16(25(27)28)13-17(18)20/h3-8,13H,2,9,11-12H2,1H3.
What is the InChIKey of Disperse Red 54?
The InChIKey of Disperse Red 54 is BMUXKUVOASOJKR-UHFFFAOYSA-N.
What is the Canonical SMILES of Disperse Red 54?
The Canonical SMILES of Disperse Red 54 is COC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.
What is the CAS number of Disperse Red 54?
The CAS number of Disperse Red 54 is 6657-37-0.
What is the XLogP3-AA value of Disperse Red 54?
The XLogP3-AA value of Disperse Red 54 is 3.8.
What is the Topological Polar Surface Area of Disperse Red 54?
The Topological Polar Surface Area of Disperse Red 54 is 124?2.
What is the common name of the compound with PubChem CID 81174?
The common name of the compound with PubChem CID 81174 is Disperse Red 54.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is COC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.8.
How many hydrogen bond acceptor counts does Disperse Red 54 have?
Disperse Red 54 has 8 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
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