AG000WRP

127199-27-3 | 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-

AG000WRP

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CAS Number	127199-27-3
Catalog Number	AG000WRP(AGN-PC-0PIHS3)
Chemical Name	3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-
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
MDL Number	MFCD23701744
Molecular Formula	C13H7ClF3NO3
Molecular Weight	317.6478
SMILES	O=C(C1=CN([C@H]2[C@@H](F)C2)C3=C(C=C(F)C(F)=C3Cl)C1=O)O
Synonyms	127199-27-3, 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]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 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, HYNVUCYYHOBXLB-POYBYMJQSA-N, AK120377, SCHEMBL500581, AMPD00255, DTXSID50440139, KS-00000R3I, MFCD23701744, ZINC38882627, AKOS016012124, AM85537, DS-2831, SB18239, AJ-97065, AX8245793, ST2412598, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, ACN-048342, CID10448547, 8-chloro-6,7-difluoro-1-[(1S,2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic Acid, 8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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