Home Halogens 1,3-dichloro-6,7-difluoroisoquinoline

1,3-dichloro-6,7-difluoroisoquinoline

CAS No.:
2092310-58-0
Catalog Number:
AG01BS5R
Molecular Formula:
C9H3Cl2F2N
Molecular Weight:
234.0296
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Product Description
Catalog Number:
AG01BS5R
Chemical Name:
1,3-dichloro-6,7-difluoroisoquinoline
CAS Number:
2092310-58-0
Molecular Formula:
C9H3Cl2F2N
Molecular Weight:
234.0296
MDL Number:
MFCD30730528
IUPAC Name:
1,3-dichloro-6,7-difluoroisoquinoline
InChI:
InChI=1S/C9H3Cl2F2N/c10-8-2-4-1-6(12)7(13)3-5(4)9(11)14-8/h1-3H
InChI Key:
JRSKRLWSJBZGFW-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(c1)cc(c(c2)F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.961g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.027g/mol
Monoisotopic Mass:
232.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties