Home Other Building Blocks 5,8-difluoroisoquinoline

5,8-difluoroisoquinoline

CAS No.:
1895191-24-8
Catalog Number:
AG019YS3
Molecular Formula:
C9H5F2N
Molecular Weight:
165.1395
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Product Description
Catalog Number:
AG019YS3
Chemical Name:
5,8-difluoroisoquinoline
CAS Number:
1895191-24-8
Molecular Formula:
C9H5F2N
Molecular Weight:
165.1395
MDL Number:
MFCD29991227
IUPAC Name:
5,8-difluoroisoquinoline
InChI:
InChI=1S/C9H5F2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
InChI Key:
HYDINNNEIGYBSW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1cncc2)F
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.143g/mol
Monoisotopic Mass:
165.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties