AG00E9BJ

61220-51-7 | 5-Chlorotryptophol

AG00E9BJ

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CAS Number	61220-51-7
Catalog Number	AG00E9BJ(AGN-PC-00L2O3)
Chemical Name	5-Chlorotryptophol
IUPAC Name	2-(5-chloro-1H-indol-3-yl)ethanol
InChI	InChI=1S/C10H10ClNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2
InChI Key	IEYZBUJHHBTQCR-UHFFFAOYSA-N
MDL Number	MFCD00130166
Molecular Formula	C10H10ClNO
Molecular Weight	195.6455
SMILES	OCCC1=CNC2=CC=C(Cl)C=C21
Synonyms	5-Chlorotryptophol, 61220-51-7, 2-(5-chloro-1H-indol-3-yl)ethanol, 2-(5-Chloro-1H-indol-3-yl)ethan-1-ol, 5-Chloro-1H-indole-3-ethanol, 1H-Indole-3-ethanol, 5-chloro-, 1H-Indole-3-ethanol,5-chloro, 5-Chloro-3-(2-hydroxyethyl)-1H-indole, 5-chlorotryptophol, AldrichCPR, SCHEMBL11162502, CTK8A3737, KS-00000JJV, 1H-Indole-3-ethanol,5-chloro-, DTXSID60520996, ACT03086, MFCD00130166, ZINC14984951, AKOS005135882, AM86173, DS-1657, FS-3343, QC-9862, RD-0164, SB14965, 2-(5-chloranyl-1H-indol-3-yl)ethanol, AJ-66274, AK-44025, BR-44025, CJ-14816, SC-12948, AB0025809, 4CH-010869, C3030, FT-0692709, ST24024065, W7349, J3.551.337J, A833107, J-504705, C10H10ClNO, S-6538,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.646g/mol
Monoisotopic Mass	195.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	36A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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