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144052-70-0 | 1-Pentyn-3-ol, 1-(pentafluorophenyl)- (9CI)
CAS No: 144052-70-0 Catalog No: AG001IUH MDL No:
Product Description
Catalog Number:
AG001IUH
Chemical Name:
1-Pentyn-3-ol, 1-(pentafluorophenyl)- (9CI)
CAS Number:
144052-70-0
Molecular Formula:
C11H7F5O
Molecular Weight:
250.1647
IUPAC Name:
1-(2,3,4,5,6-pentafluorophenyl)pent-1-yn-3-ol
InChI:
InChI=1S/C11H7F5O/c1-2-5(17)3-4-6-7(12)9(14)11(16)10(15)8(6)13/h5,17H,2H2,1H3
InChI Key:
KMVAFHZYXDIYOC-UHFFFAOYSA-N
SMILES:
CCC(C#Cc1c(F)c(F)c(c(c1F)F)F)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.168g/mol
Monoisotopic Mass:
250.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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