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724788-57-2

724788-57-2 | Quinoline, 4-ethenyl-3,8-difluoro-6-methoxy-

CAS No: 724788-57-2 Catalog No: AG005HEY MDL No:

Product Description

Catalog Number:
AG005HEY
Chemical Name:
Quinoline, 4-ethenyl-3,8-difluoro-6-methoxy-
CAS Number:
724788-57-2
Molecular Formula:
C12H9F2NO
Molecular Weight:
221.2028
IUPAC Name:
4-ethenyl-3,8-difluoro-6-methoxyquinoline
InChI:
InChI=1S/C12H9F2NO/c1-3-8-9-4-7(16-2)5-10(13)12(9)15-6-11(8)14/h3-6H,1H2,2H3
InChI Key:
BIIZUACWTOBDIE-UHFFFAOYSA-N
SMILES:
COc1cc(F)c2c(c1)c(C=C)c(cn2)F

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.207g/mol
Monoisotopic Mass:
221.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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