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334017-34-4 | 5-(2-Chlorophenyl);isoxazole-3-carboxylic acid
CAS No: 334017-34-4 Catalog No: AG003M3Q MDL No:MFCD06005852
Product Description
Catalog Number:
AG003M3Q
Chemical Name:
5-(2-Chlorophenyl);isoxazole-3-carboxylic acid
CAS Number:
334017-34-4
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
MDL Number:
MFCD06005852
IUPAC Name:
5-(2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChI Key:
ZNPCZHXBSWBBCV-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1onc(c1)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.612g/mol
Monoisotopic Mass:
223.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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