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1429056-46-1 | 2-Chloro-1-fluoro-4-pentafluoroethyl-benzene
CAS No: 1429056-46-1 Catalog No: AG01FAO4 MDL No:MFCD23701356
Product Description
Catalog Number:
AG01FAO4
Chemical Name:
2-Chloro-1-fluoro-4-pentafluoroethyl-benzene
CAS Number:
1429056-46-1
Molecular Formula:
C8H3ClF6
Molecular Weight:
248.5528
MDL Number:
MFCD23701356
IUPAC Name:
2-chloro-1-fluoro-4-(1,1,2,2,2-pentafluoroethyl)benzene
InChI:
InChI=1S/C8H3ClF6/c9-5-3-4(1-2-6(5)10)7(11,12)8(13,14)15/h1-3H
InChI Key:
LBIMJSYYFJJFRC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)C(C(F)(F)F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.983g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.552g/mol
Monoisotopic Mass:
247.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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