AG00H2LC

875305-81-0 | 5-Chloro-7-indolecarboxylic acid

AG00H2LC

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CAS Number	875305-81-0
Catalog Number	AG00H2LC(AGN-PC-0H6ZAW)
Chemical Name	5-Chloro-7-indolecarboxylic acid
IUPAC Name	5-chloro-1H-indole-7-carboxylic acid
InChI	InChI=1S/C9H6ClNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
InChI Key	NQDMTJYCOYPTOZ-UHFFFAOYSA-N
MDL Number	MFCD16037410
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	O=C(C1=CC(Cl)=CC2=C1NC=C2)O
Synonyms	5-chloro-1H-indole-7-carboxylic acid, 875305-81-0, 1H-Indole-7-carboxylic acid, 5-chloro-, SCHEMBL988532, 5-Chloro-7-indolecarboxylic acid, NQDMTJYCOYPTOZ-UHFFFAOYSA-N, 5-chloro-1H-indole-7-carboxylicacid, MFCD16037410, ZINC96321331, 5-chloro-1H-indol-7-carboxylic acid, SB15155, KS-000005W1, AS-43119, SC-50800, CS-0050542, FT-0762034, 1H-INDOLE-7-CARBOXYLIC ACID,5-CHLORO, W-3139,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.009g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.602g/mol
Monoisotopic Mass	195.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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