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91076-94-7 | Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CAS No: 91076-94-7 Catalog No: AG003Q72 MDL No:MFCD06336766
Product Description
Catalog Number:
AG003Q72
Chemical Name:
Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
CAS Number:
91076-94-7
Molecular Formula:
C13H12ClNO2S
Molecular Weight:
281.7579
MDL Number:
MFCD06336766
IUPAC Name:
ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChI Key:
VOIKQRXCKXHXNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(cc1N)c1ccc(cc1)Cl
Properties
Complexity:
295
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:
4.3
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