AG0005SL

101861-63-6 | 1H-Indole-2-carboxylic acid, 4,6-dichloro-

AG0005SL

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CAS Number	101861-63-6
Catalog Number	AG0005SL(AGN-PC-0JML5F)
Chemical Name	1H-Indole-2-carboxylic acid, 4,6-dichloro-
IUPAC Name	4,6-dichloro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
InChI Key	DHXISZKSSIWRLH-UHFFFAOYSA-N
MDL Number	MFCD00209870
Molecular Formula	C9H5Cl2NO2
Molecular Weight	230.0475
SMILES	O=C(C(N1)=CC2=C1C=C(Cl)C=C2Cl)O
Synonyms	2-carboxy-4,6-dichloro-(1H)-indole-3-propanoic acid, 3-(4,6-dichloro-2-carboxyindol-3-yl)propionic acid, 3-DCCIP, MDL 29951, MDL-29951, MDL29,951, 101861-63-6, 4,6-dichloro-1H-indole-2-carboxylic acid, 4,6-Dichloroindole-2-carboxylic acid, CHEMBL301556, 1H-Indole-2-carboxylicacid, 4,6-dichloro-, 3-(4,6-Dichloro-2-carboxyindol-3-yl)propionic acid, 3-Dccip, KBio2_007460, PubChem7197, Spectrum_001822, 4,6-Dichloro-1H-indole-2-carboxylicacid, ACMC-1BPUR, SpecPlus_000800, AC1L2SZE, AC1Q3MQM, Maybridge1_006804, AC1Q73TA, Oprea1_268024, KBioSS_002327, DivK1c_006896, SCHEMBL727389, CTK0H4782, HMS560N06, KBio1_001840, KBio2_002324, KBio2_004892, DTXSID80144299, DHXISZKSSIWRLH-UHFFFAOYSA-N, KS-00000D0V, ZINC2557959, 4,6-Dichloroindole-2-carboxylicAcid, ANW-60044, BBL020540, BDBM50004960, MFCD00209870, SBB063804, STK893229, AKOS001476065, 4,6-dichloro-indole-2-carboxylic acid, AC-9000, AN-7441, CS-W022054, MCULE-9834255003, MP-0302, QC-9710, RTC-061117, SB14718, VI30211, AJ-40081, AK-23720, AS-14979, N453, SC-00094, SY040441, Indole-2-carboxylic acid, 4,6-dichloro-, AB0015796, DB-014408, ST2417911, TC-061117, 4CH-015032, BB 0248940, FT-0630299, 1H-Indole-2-carboxylic acid, 4,6-dichloro-, EN300-85654, MFCD00209870 (95%), 4,6-dichloroindole-2-carboxylic acid, AldrichCPR, 861D636, I01-2951, Q-101954, Z228589232, C9H5Cl2NO2, Mdl-29951, D00YYW, D03GBO, C9-H5-Cl2-N-O2, Mdl 29951, AR-1F8616, CD-564, CID127988, A16296, 4,6-Dichloro-1H-indole-2-carboxylic acid, 97% 1g, 189333-48-0, 86-98-6,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.97g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.044g/mol
Monoisotopic Mass	228.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number