CAS
91066-67-0 Purity
---
91066-67-0 Purity
---
Inquiry Basket
2-Thiophenecarboxylicacid,3-amino-5-(4-chlorophenyl)-,ethyl ester
CAS
91076-94-7
Catalog Number
ACM91076947
Category
Other Products
Molecular Weight
281.76
Molecular Formula
C13H12ClNO2S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
649384_ALDRICH, ZINC02655189, CID2118786, T5247196, ethyl 3-amino-5-(4-chlorophenyl)-2-thiophenecarboxylate, Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate, 91076-94-7
IUPAC Name
ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
Canonical SMILES
CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N
InChI Key
VOIKQRXCKXHXNF-UHFFFAOYSA-N
Boiling Point
472.8ºC at 760mmHg
Melting Point
107-111ºC(lit.)
Flash Point
239.7ºC
Density
1.323g/cm³
Appearance
Solid
Exact Mass
281.02800
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
26-36
What is the molecular formula of 2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-,ethyl ester?
The molecular formula is C13H12ClNO2S.
When was the compound first created and last modified?
It was first created on July 14, 2005, and last modified on December 30, 2023.
What is the IUPAC Name of 2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-,ethyl ester?
The IUPAC name is ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the InChIKey of this compound?
The InChIKey is VOIKQRXCKXHXNF-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the exact mass of 2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-,ethyl ester?
The exact mass is 281.0277275 g/mol.
What is the topological polar surface area of this compound?
The topological polar surface area is 80.6 Ų.
How many rotatable bond counts does this compound have?
It has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of 2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-,ethyl ester?
The molecular weight is 281.76 g/mol.
Recommended Products
CAS
91076-93-6 Purity
98%
91076-93-6 Purity
98%
CAS
91076-95-8 Purity
---
91076-95-8 Purity
---
CAS
91076-98-1 Purity
96%
91076-98-1 Purity
96%
CAS
91076-99-2 Purity
96%
91076-99-2 Purity
96%
