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114589-03-6 | 1,4-Cyclohexadiene, 3-chloro-3,6,6-trifluoro-
CAS No: 114589-03-6 Catalog No: AG000ER2 MDL No:
Product Description
Catalog Number:
AG000ER2
Chemical Name:
1,4-Cyclohexadiene, 3-chloro-3,6,6-trifluoro-
CAS Number:
114589-03-6
Molecular Formula:
C6H4ClF3
Molecular Weight:
168.5442
IUPAC Name:
3-chloro-3,6,6-trifluorocyclohexa-1,4-diene
InChI:
InChI=1S/C6H4ClF3/c7-5(8)1-3-6(9,10)4-2-5/h1-4H
InChI Key:
HGVCBPCECLQBAL-UHFFFAOYSA-N
SMILES:
FC1(F)C=CC(C=C1)(F)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.543g/mol
Monoisotopic Mass:
167.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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