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23598-72-3 | 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CAS No: 23598-72-3 Catalog No: AG002NU9 MDL No:MFCD00020813
Product Description
Catalog Number:
AG002NU9
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CAS Number:
23598-72-3
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD00020813
IUPAC Name:
3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChI Key:
UVEPOHNXGXVOJE-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1noc(c1C(=O)O)C
EC Number:
245-770-0
NSC Number:
81238
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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