CAS
94231-79-5 Purity
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94231-79-5 Purity
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Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate
CAS
94231-83-1
Catalog Number
ACM94231831
Category
Other Products
Molecular Weight
382.326960 [g/mol]
Molecular Formula
C18H14N4O6
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Specification
Synonyms
EINECS 303-905-1, Methyl (7-hydroxy-8-((2-hydroxy-5-nitrophenyl)azo)-1-naphthyl)-carbamate, 94231-83-1
IUPAC Name
methyl N-[(8Z)-8-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-7-oxonaphthalen-1-yl]carbamate
Canonical SMILES
COC(=O)NC1=CC=CC2=C1C(=NNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)C=C2
InChI Key
LWBJBYQEPAPTOC-HEHNFIMWSA-N
EC Number
303-905-1
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate?
The molecular formula is C18H14N4O6.
When was Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate created and last modified in the PubChem database?
It was created on January 15, 2019, and last modified on December 30, 2023.
What is the IUPAC name of Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate?
The IUPAC name is methyl N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]carbamate.
What is the InChIKey of Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate?
The InChIKey is RWODFOSCGOFTKK-UHFFFAOYSA-N.
What is the molecular weight of Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate?
The molecular weight is 382.3 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate?
The XLogP3-AA value is 3.6.
What is the topological polar surface area of the compound?
The topological polar surface area is 149?2.
How many rotatable bond counts does Methyl[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthyl]-carbamate have?
It has 4 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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