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Home > Fluorides > 144562-03-8
144562-03-8 | 1,1'-Biphenyl, 2-fluoro-4'-isothiocyanato-4-pentyl-
CAS No: 144562-03-8 Catalog No: AG001JRK MDL No:
Product Description
Catalog Number:
AG001JRK
Chemical Name:
1,1'-Biphenyl, 2-fluoro-4'-isothiocyanato-4-pentyl-
CAS Number:
144562-03-8
Molecular Formula:
C18H18FNS
Molecular Weight:
299.4056
IUPAC Name:
2-fluoro-1-(4-isothiocyanatophenyl)-4-pentylbenzene
InChI:
InChI=1S/C18H18FNS/c1-2-3-4-5-14-6-11-17(18(19)12-14)15-7-9-16(10-8-15)20-13-21/h6-12H,2-5H2,1H3
InChI Key:
MTRSZRLKUJXNRW-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1)F)c1ccc(cc1)N=C=S
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.407g/mol
Monoisotopic Mass:
299.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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