Home Other Building Blocks 4-[(thiophen-2-ylformamido)methyl]benzoic acid

4-[(thiophen-2-ylformamido)methyl]benzoic acid

CAS No.:
392716-12-0
Catalog Number:
AG019UPZ
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
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Product Description
Catalog Number:
AG019UPZ
Chemical Name:
4-[(thiophen-2-ylformamido)methyl]benzoic acid
CAS Number:
392716-12-0
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
MDL Number:
MFCD01100856
IUPAC Name:
4-[(thiophene-2-carbonylamino)methyl]benzoic acid
InChI:
InChI=1S/C13H11NO3S/c15-12(11-2-1-7-18-11)14-8-9-3-5-10(6-4-9)13(16)17/h1-7H,8H2,(H,14,15)(H,16,17)
InChI Key:
LVOSKQRJWMNHIU-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)NCc1ccc(cc1)C(=O)O
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties