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1261636-30-9

1261636-30-9 | Isoquinoline, 1-(difluoromethoxy)-

CAS No: 1261636-30-9 Catalog No: AG000RWW MDL No:

Product Description

Catalog Number:
AG000RWW
Chemical Name:
Isoquinoline, 1-(difluoromethoxy)-
CAS Number:
1261636-30-9
Molecular Formula:
C10H7F2NO
Molecular Weight:
195.1655
IUPAC Name:
1-(difluoromethoxy)isoquinoline
InChI:
InChI=1S/C10H7F2NO/c11-10(12)14-9-8-4-2-1-3-7(8)5-6-13-9/h1-6,10H
InChI Key:
STZHAPUBIHSVEB-UHFFFAOYSA-N
SMILES:
FC(Oc1nccc2c1cccc2)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:
3.5  

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