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Home > Fluorides > 1261770-41-5
1261770-41-5 | Isoquinoline, 3-(difluoromethoxy)-
CAS No: 1261770-41-5 Catalog No: AG000RZG MDL No:MFCD18416114
Product Description
Catalog Number:
AG000RZG
Chemical Name:
Isoquinoline, 3-(difluoromethoxy)-
CAS Number:
1261770-41-5
Molecular Formula:
C10H7F2NO
Molecular Weight:
195.1655
MDL Number:
MFCD18416114
IUPAC Name:
3-(difluoromethoxy)isoquinoline
InChI:
InChI=1S/C10H7F2NO/c11-10(12)14-9-5-7-3-1-2-4-8(7)6-13-9/h1-6,10H
InChI Key:
QASNZDPCRRIIBD-UHFFFAOYSA-N
SMILES:
FC(Oc1ncc2c(c1)cccc2)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.169g/mol
Monoisotopic Mass:
195.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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