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733795-46-5 | 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid
CAS No: 733795-46-5 Catalog No: AG019J8J MDL No:MFCD04636900
Product Description
Catalog Number:
AG019J8J
Chemical Name:
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid
CAS Number:
733795-46-5
Molecular Formula:
C15H11NO3S
Molecular Weight:
285.3177
MDL Number:
MFCD04636900
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C15H11NO3S/c17-14(18)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,17,18)
InChI Key:
UIUXINYILGLYBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CSc1nc2c(o1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.317g/mol
Monoisotopic Mass:
285.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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