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13180-39-7 | Isoquinoline, 1,3,4,5,6,7,8-heptafluoro-
CAS No: 13180-39-7 Catalog No: AG000ZQO MDL No:
Product Description
Catalog Number:
AG000ZQO
Chemical Name:
Isoquinoline, 1,3,4,5,6,7,8-heptafluoro-
CAS Number:
13180-39-7
Molecular Formula:
C9F7N
Molecular Weight:
255.0918
IUPAC Name:
1,3,4,5,6,7,8-heptafluoroisoquinoline
InChI:
InChI=1S/C9F7N/c10-3-1-2(4(11)7(14)6(3)13)8(15)17-9(16)5(1)12
InChI Key:
XQRRSUIMAAZUTJ-UHFFFAOYSA-N
SMILES:
Fc1nc(F)c2c(c1F)c(F)c(c(c2F)F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.095g/mol
Monoisotopic Mass:
254.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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