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127918-92-7 | 4-Thiazolecarboxylic acid, 2-amino-5-(4-chlorophenyl)-, methyl ester
CAS No: 127918-92-7 Catalog No: AG000XKL MDL No:MFCD06200914
Product Description
Catalog Number:
AG000XKL
Chemical Name:
4-Thiazolecarboxylic acid, 2-amino-5-(4-chlorophenyl)-, methyl ester
CAS Number:
127918-92-7
Molecular Formula:
C11H9ClN2O2S
Molecular Weight:
268.7194
MDL Number:
MFCD06200914
IUPAC Name:
methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14)
InChI Key:
KMZCBFMFOJXUMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1c1ccc(cc1)Cl)N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.715g/mol
Monoisotopic Mass:
268.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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