200,000+ products from a single source!
sales@angenechem.com
100063-22-7 | 2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester
CAS No: 100063-22-7 Catalog No: AG0000TB MDL No:MFCD00068161
Product Description
Catalog Number:
AG0000TB
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester
CAS Number:
100063-22-7
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD00068161
IUPAC Name:
methyl 3-amino-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C12H11NO2S/c1-15-12(14)11-9(13)7-10(16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChI Key:
QESSCNMSOLRYBO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)c1ccccc1
Properties
Complexity:
253
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:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.