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138716-63-9 | Isoxazole, 5-(3,4-dichlorophenyl)-
CAS No: 138716-63-9 Catalog No: AG0019FQ MDL No:MFCD02183535
Product Description
Catalog Number:
AG0019FQ
Chemical Name:
Isoxazole, 5-(3,4-dichlorophenyl)-
CAS Number:
138716-63-9
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
MDL Number:
MFCD02183535
IUPAC Name:
5-(3,4-dichlorophenyl)-1,2-oxazole
InChI:
InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H
InChI Key:
IKNOHHYCVNOHER-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)c1ccno1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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