Home Aminos 4-{[(thiophen-3-yl)methyl]amino}benzoic acid

4-{[(thiophen-3-yl)methyl]amino}benzoic acid

CAS No.:
518335-97-2
Catalog Number:
AG01C02K
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
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Product Description
Catalog Number:
AG01C02K
Chemical Name:
4-{[(thiophen-3-yl)methyl]amino}benzoic acid
CAS Number:
518335-97-2
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD11102820
IUPAC Name:
4-(thiophen-3-ylmethylamino)benzoic acid
InChI:
InChI=1S/C12H11NO2S/c14-12(15)10-1-3-11(4-2-10)13-7-9-5-6-16-8-9/h1-6,8,13H,7H2,(H,14,15)
InChI Key:
HVKLLTVXMSODQA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NCc1cscc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties