Basic Information | Post buying leads | Suppliers |
Name |
4-[(Thien-2-ylacetyl)amino]benzoic acid |
EINECS | N/A |
CAS No. | 436088-76-5 | Density | g/cm3 |
PSA | 94.64000 | LogP | 2.70050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11NO3S | Boiling Point | 543°Cat760mmHg |
Molecular Weight | 260.2889 | Flash Point | 282.2°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N/A |
Molecular Structure of 4-[(Thien-2-ylacetyl)amino]benzoic acid (CAS No.436088-76-5):
Molecular Formula: C13H10NO3S
Molecular Weight: 260.2889
CAS No: 436088-76-5
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 85.85 Å2
Flash Point: 282.2 °C
Enthalpy of Vaporization: 86.43 kJ/mol
Boiling Point: 543 °C at 760 mmHg
Vapour Pressure: 1.27E-12 mmHg at 25°C
InChI: InChI=1/C13H11NO3S/c15-12(8-11-2-1-7-18-11)14-10-5-3-9(4-6-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)/p-1
InChIKey: FEUPGOFYXFJWIT-REWHXWOFAY
Std. InChI: InChI=1S/C13H11NO3S/c15-12(8-11-2-1-7-18-11)14-10-5-3-9(4-6-10)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)/p-1
Std. InChIKey: FEUPGOFYXFJWIT-UHFFFAOYSA-M
Systematic Name: 4-[(Thiophen-2-ylacetyl)amino]benzoate
Hazard Codes: Xi
HazardClass: IRRITANT