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3919-74-2 | 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
CAS No: 3919-74-2 Catalog No: AG0033G8 MDL No:MFCD00055659
Product Description
Catalog Number:
AG0033G8
Chemical Name:
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
CAS Number:
3919-74-2
Molecular Formula:
C11H7ClFNO3
Molecular Weight:
255.6296
MDL Number:
MFCD00055659
IUPAC Name:
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChI Key:
REIPZLFZMOQHJT-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1noc(c1C(=O)O)C)Cl
EC Number:
223-486-8
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.629g/mol
Monoisotopic Mass:
255.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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