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321430-14-2 | 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoic acid
CAS No: 321430-14-2 Catalog No: AG00INW9 MDL No:MFCD00171765
Product Description
Catalog Number:
AG00INW9
Chemical Name:
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoic acid
CAS Number:
321430-14-2
Molecular Formula:
C17H13NO3S
Molecular Weight:
311.3550
MDL Number:
MFCD00171765
IUPAC Name:
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoic acid
InChI:
InChI=1S/C17H13NO3S/c1-21-14-8-6-11(7-9-14)15-10-22-16(18-15)12-2-4-13(5-3-12)17(19)20/h2-10H,1H3,(H,19,20)
InChI Key:
ITJJBPNMGRUDRB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)c1ccc(cc1)C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.355g/mol
Monoisotopic Mass:
311.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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