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177211-21-1 | 1,3-Butanedione, 1-(4-chloro-2-fluoro-5-methylphenyl)-4,4,4-trifluoro-
CAS No: 177211-21-1 Catalog No: AG00256F MDL No:
Product Description
Catalog Number:
AG00256F
Chemical Name:
1,3-Butanedione, 1-(4-chloro-2-fluoro-5-methylphenyl)-4,4,4-trifluoro-
CAS Number:
177211-21-1
Molecular Formula:
C11H7ClF4O2
Molecular Weight:
282.6187
IUPAC Name:
1-(4-chloro-2-fluoro-5-methylphenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C11H7ClF4O2/c1-5-2-6(8(13)3-7(5)12)9(17)4-10(18)11(14,15)16/h2-3H,4H2,1H3
InChI Key:
MKHDLSGGKWVJRI-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(cc1F)Cl)CC(=O)C(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.619g/mol
Monoisotopic Mass:
282.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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