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13180-44-4 | Isoquinoline, 3,4,5,6,7,8-hexafluoro-1-methoxy-
CAS No: 13180-44-4 Catalog No: AG000ZQN MDL No:
Product Description
Catalog Number:
AG000ZQN
Chemical Name:
Isoquinoline, 3,4,5,6,7,8-hexafluoro-1-methoxy-
CAS Number:
13180-44-4
Molecular Formula:
C10H3F6NO
Molecular Weight:
267.1273
IUPAC Name:
3,4,5,6,7,8-hexafluoro-1-methoxyisoquinoline
InChI:
InChI=1S/C10H3F6NO/c1-18-10-3-2(6(13)9(16)17-10)4(11)7(14)8(15)5(3)12/h1H3
InChI Key:
MXPCHMHKQVWVJT-UHFFFAOYSA-N
SMILES:
COc1nc(F)c(c2c1c(F)c(F)c(c2F)F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.13g/mol
Monoisotopic Mass:
267.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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