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116611-76-8 | Isoxazole, 5-(chlorodifluoromethyl)-
CAS No: 116611-76-8 Catalog No: AG000CVH MDL No:
Product Description
Catalog Number:
AG000CVH
Chemical Name:
Isoxazole, 5-(chlorodifluoromethyl)-
CAS Number:
116611-76-8
Molecular Formula:
C4H2ClF2NO
Molecular Weight:
153.5146
IUPAC Name:
5-[chloro(difluoro)methyl]-1,2-oxazole
InChI:
InChI=1S/C4H2ClF2NO/c5-4(6,7)3-1-2-8-9-3/h1-2H
InChI Key:
QVJPPFAOCXDDPW-UHFFFAOYSA-N
SMILES:
FC(c1ccno1)(Cl)F
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.513g/mol
Monoisotopic Mass:
152.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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