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1229037-03-9 | Quinoline, 4-chloro-5-fluoro-
CAS No: 1229037-03-9 Catalog No: AG000JQT MDL No:MFCD08063197
Product Description
Catalog Number:
AG000JQT
Chemical Name:
Quinoline, 4-chloro-5-fluoro-
CAS Number:
1229037-03-9
Molecular Formula:
C9H5ClFN
Molecular Weight:
181.5941
MDL Number:
MFCD08063197
IUPAC Name:
4-chloro-5-fluoroquinoline
InChI:
InChI=1S/C9H5ClFN/c10-6-4-5-12-8-3-1-2-7(11)9(6)8/h1-5H
InChI Key:
DYIKKKLIBMNUEU-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1c(Cl)ccn2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.594g/mol
Monoisotopic Mass:
181.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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