Home Carboxys 8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
127199-27-3
Catalog Number:
AG000WRP
Molecular Formula:
C13H7ClF3NO3
Molecular Weight:
317.6478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$375
- +
5g
97%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG000WRP
Chemical Name:
8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
127199-27-3
Molecular Formula:
C13H7ClF3NO3
Molecular Weight:
317.6478
MDL Number:
MFCD23701744
IUPAC Name:
8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H7ClF3NO3/c14-9-10(17)7(16)1-4-11(9)18(8-2-6(8)15)3-5(12(4)19)13(20)21/h1,3,6,8H,2H2,(H,20,21)/t6-,8+/m0/s1
InChI Key:
HYNVUCYYHOBXLB-POYBYMJQSA-N
SMILES:
Fc1cc2c(=O)c(cn(c2c(c1F)Cl)[C@@H]1C[C@@H]1F)C(=O)O
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
317.007g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.648g/mol
Monoisotopic Mass:
317.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties