Home Other Building Blocks 6,7,8-trifluoro-1,4-dihydroquinolin-4-one

6,7,8-trifluoro-1,4-dihydroquinolin-4-one

CAS No.:
1020087-32-4
Catalog Number:
AG01BTOB
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
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Product Description
Catalog Number:
AG01BTOB
Chemical Name:
6,7,8-trifluoro-1,4-dihydroquinolin-4-one
CAS Number:
1020087-32-4
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD12192813
IUPAC Name:
6,7,8-trifluoro-1H-quinolin-4-one
InChI:
InChI=1S/C9H4F3NO/c10-5-3-4-6(14)1-2-13-9(4)8(12)7(5)11/h1-3H,(H,13,14)
InChI Key:
KEOLWQHYWNESLY-UHFFFAOYSA-N
SMILES:
Fc1cc2c(=O)cc[nH]c2c(c1F)F
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties