AG007F28

10406-05-0 | 5-Chloro-1H-indole-3-carboxylic acid

AG007F28

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CAS Number	10406-05-0
Catalog Number	AG007F28(AGN-PC-01MGT4)
Chemical Name	5-Chloro-1H-indole-3-carboxylic acid
IUPAC Name	5-chloro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChI Key	XUDITEOFEQOSAK-UHFFFAOYSA-N
MDL Number	MFCD03410308
Molecular Formula	C9H6ClNO2
Molecular Weight	195.6024
SMILES	O=C(C1=CNC2=C1C=C(Cl)C=C2)O
Synonyms	10406-05-0, 5-chloroindole-3-carboxylic acid, 5-Chloro-1H-indole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 5-chloro-, 1h-indole-3-carboxylic acid,5-chloro, Trospiumchloride, 5-Chloro-1H-indole-3-carboxylicacid, PubChem8335, KSC174E8T, SCHEMBL1434913, CHEMBL3416135, CTK0H4289, KS-00000MXJ, 5-chloro-3-Indolecarboxylic acid, DTXSID90591215, XUDITEOFEQOSAK-UHFFFAOYSA-N, ACT07040, ZINC2513623, ANW-45164, BBL101490, MFCD03410308, STL555286, AKOS005259083, AC-6606, AM84315, AN-9845, CS-W019236, FS-2271, QC-1464, RP25392, VI30274, 1H-Indole-3-carboxylicacid, 5-chloro-, 5-chloranyl-1H-indole-3-carboxylic acid, AJ-36865, AK-49040, SC-00167, SC-08808, SY040069, AB0034521, DB-007027, ST2418744, TC-020225, 4CH-015090, FT-0600654, X8690, MFCD03410308 (95%), S-7866, 406C050, 5-Chloro-1H-indole-3-carboxylic acid, AldrichCPR, A800895, I10-0084, C9H6ClNO2, cc-391, A1896, C-4525, 104-09-6, 10405-02-4,

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	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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