200,000+ products from a single source!
sales@angenechem.com
869950-51-6 | 4-{[(3-METHYL-2-THIENYL)METHYL]AMINO}BENZOIC ACID
CAS No: 869950-51-6 Catalog No: AG004NW7 MDL No:MFCD07391531
Product Description
Catalog Number:
AG004NW7
Chemical Name:
4-{[(3-METHYL-2-THIENYL)METHYL]AMINO}BENZOIC ACID
CAS Number:
869950-51-6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD07391531
IUPAC Name:
4-[(3-methylthiophen-2-yl)methylamino]benzoic acid
InChI:
InChI=1S/C13H13NO2S/c1-9-6-7-17-12(9)8-14-11-4-2-10(3-5-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
InChI Key:
PVOPXJDFVBSJES-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NCc1sccc1C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.