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94695-52-0,MFCD01173812
Catalog No.:AA006T4E
94695-52-0 | 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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1g
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Technical Information
Catalog Number:
AA006T4E
Chemical Name:
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
94695-52-0
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
MDL Number:
MFCD01173812
IUPAC Name:
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChI Key:
NMASXYCNDJMMFR-UHFFFAOYSA-N
SMILES:
Fc1cc2c(=O)c(cn(c2c(c1F)F)C1CC1)C(=O)O
Properties
Computed Properties
 
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
94695-52-0 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
SCHEMBL500719 
CTK3I5929 
KS-00000RLG 
DTXSID00336679 
ZINC5042955 
BBL102846 
MFCD01173812 
STL556654 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 
AKOS022500043 
NMASXYCNDJMMFR-UHFFFAOYSA-N 
AK313447 
DS-11919 
SC-91777 
SY105842 
AB0071733 
CS-0036600 
FT-0665407 
MFCD01173812 (95%) 
SR-01000220575 
SR-01000220575-1 
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq 
1-cyclopropyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylic acid 
1-cyclopropyl-1,4-dihydro-4-oxo-6,7,8-trifluoroquinoline-3-carboxylic acid 
1-cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid 
1-Cyclopropyl-4-oxo-6,7,8-trifluoro-1,4-dihydroquinoline-3-carboxylic acid 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 
1-cyclopropyl-6,7,8-trifluoro1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 
1-Cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic Acid 
1-cyclopropyl-6,7,8-trifluoro -1,4-dihydro-4-oxoquinoline-3-carboxylic acid 
1-cyclopropyl-6,7,8-trifluoro-1, 4-dihydro-4-oxo-quinoline-3-carboxylic acid 
1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro -4-oxoquinoline-3-carboxylic acid 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4- oxoquinoline-3-carboxylic acid 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid # 
3- Quinolinecarboxylicacid,1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo- 
3-Quinolinecarboxylicacid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo- 
6,7,8-Trifluoro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid 
CID535414 
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid 
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid 
AC1LBGP1 
Oprea1_560856 
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