CAS
91076-94-7 Purity
96%
91076-94-7 Purity
96%
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3-Amino-5-(4-nitrophenyl)thiophene-2-carboxylicacid methyl ester
CAS
91076-99-2
Catalog Number
ACM91076992
Category
Other Products
Molecular Weight
278.29
Molecular Formula
C12H10N2O4S
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Specification
Synonyms
methyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate, 91076-99-2, 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylic acid methyl ester, ZINC02528650, AC1MC16Q, SureCN6229303, CTK5G8906, AKOS005921048, AG-B-27480, KB-256294, KB-256295, methyl 3-amino-5-(4-nitrophenyl)thiophene2-carboxylate, Methyl-3-amino-5-(4-nitrophenyl)thiophene 2-carboxylate, methyl-3-amino-5-(4-nitrophenyl)thiophene2-carboxylate
IUPAC Name
methyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate
Canonical SMILES
COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])N
InChI Key
NVUFFVPGEHZJFW-UHFFFAOYSA-N
Boiling Point
516.9ºC at 760 mmHg
Melting Point
220-222ºC
Flash Point
266.4ºC
Density
1.418g/cm³
Exact Mass
278.03600
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 3-Amino-5-(4-nitrophenyl)thiophene-2-carboxylic acid methyl ester?
The molecular formula is C12H10N2O4S.
When was the compound created and last modified?
The compound was created on 2005-07-19 and last modified on 2023-12-30.
What are some synonyms for the compound?
Some synonyms include methyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate and SCHEMBL6229303.
What is the molecular weight of 3-Amino-5-(4-nitrophenyl)thiophene-2-carboxylic acid methyl ester?
The molecular weight is 278.29 g/mol.
What is the InChI key for the compound?
The InChIkey is NVUFFVPGEHZJFW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
What is the Exact Mass of the compound?
The Exact Mass is 278.03612798 g/mol.
What is the formal charge of the compound?
The formal charge is 0.
Does the compound have any defined atom or bond stereocenters?
No, the compound does not have any defined atom or bond stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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