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1313504-95-8 | 3-Thiophenecarboxylic acid, 2-amino-5-chloro-4-phenyl-, ethyl ester
CAS No: 1313504-95-8 Catalog No: AG000VZU MDL No:
Product Description
Catalog Number:
AG000VZU
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-5-chloro-4-phenyl-, ethyl ester
CAS Number:
1313504-95-8
Molecular Formula:
C13H12ClNO2S
Molecular Weight:
281.7579
IUPAC Name:
ethyl 2-amino-5-chloro-4-phenylthiophene-3-carboxylate
InChI:
InChI=1S/C13H12ClNO2S/c1-2-17-13(16)10-9(11(14)18-12(10)15)8-6-4-3-5-7-8/h3-7H,2,15H2,1H3
InChI Key:
BPZXFXBWHMEMIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc(c1c1ccccc1)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.754g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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