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129143-43-7 | Benzene, 1-chloro-2-(cyclopentyloxy)-5-fluoro-4-isocyanato-
CAS No: 129143-43-7 Catalog No: AG000YW1 MDL No:
Product Description
Catalog Number:
AG000YW1
Chemical Name:
Benzene, 1-chloro-2-(cyclopentyloxy)-5-fluoro-4-isocyanato-
CAS Number:
129143-43-7
Molecular Formula:
C12H11ClFNO2
Molecular Weight:
255.6726
IUPAC Name:
1-chloro-2-cyclopentyloxy-5-fluoro-4-isocyanatobenzene
InChI:
InChI=1S/C12H11ClFNO2/c13-9-5-10(14)11(15-7-16)6-12(9)17-8-3-1-2-4-8/h5-6,8H,1-4H2
InChI Key:
WOLIEQSETJAFDZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(OC2CCCC2)c(cc1F)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.673g/mol
Monoisotopic Mass:
255.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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