AG00AX21

186446-26-4 | 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid

AG00AX21

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CAS Number	186446-26-4
Catalog Number	AG00AX21(AGN-PC-03EWRH)
Chemical Name	5-Chloro-4-fluoro-1H-indole-2-carboxylic acid
IUPAC Name	5-chloro-4-fluoro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H5ClFNO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)
InChI Key	GOPLNYXPDXOWSO-UHFFFAOYSA-N
MDL Number	MFCD09835295
Molecular Formula	C9H5ClFNO2
Molecular Weight	213.5929
SMILES	O=C(C(N1)=CC2=C1C=CC(Cl)=C2F)O
Synonyms	5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID, 186446-26-4, 5-chloro-4-fluoroindole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro-, SCHEMBL1504212, CTK0E2236, DTXSID10617224, WT598, MFCD09835295, ZINC61717415, AKOS005762890, AB53306, AS06049, CM13595, AS-35895, AJ-114016, ST24044645, 186446-26-4 4-fluoro-5-chloroindole-2-carboxylic acid,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	213.592g/mol
Monoisotopic Mass	212.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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