AG003495

827-01-0 | 5-Chloroindole-3-carboxaldehyde

AG003495

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CAS Number	827-01-0
Catalog Number	AG003495(AGN-PC-0KL7HH)
Chemical Name	5-Chloroindole-3-carboxaldehyde
IUPAC Name	5-chloro-1H-indole-3-carbaldehyde
InChI	InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key	YXEXOIGXNYITQH-UHFFFAOYSA-N
MDL Number	MFCD00175291
Molecular Formula	C9H6ClNO
Molecular Weight	179.6030
SMILES	O=Cc1c[nH]c2ccc(cc12)Cl
Synonyms	5-Chloroindole-3-carboxaldehyde, 827-01-0, 5-chloro-1H-indole-3-carbaldehyde, 5-chloro-3-formylindole, MFCD00175291, 1H-Indole-3-carboxaldehyde, 5-chloro-, 5-chloroindole-3-carbaldehyde, 5-chloro-1H-indol-3-carboxaldehyde, PubChem7689, AC1Q3KLG, AC1MDT86, KSC649S5J, SCHEMBL351715, CTK5E9954, KS-00000ILB, 5-chloro indole-3-carboxaldehyde, DTXSID40383642, YXEXOIGXNYITQH-UHFFFAOYSA-N, ZINC164246, ACT03924, ALBB-007590, 5-chloro-1H-indole-3-carboxaldehyde, ANW-48690, SBB003756, STK504643, AKOS005171675, 1H-Indole-3-carboxaldehyde,5-chloro-, 5-Chloroindole-3-carboxaldehyde, 98%, AN-5519, CS-W004140, MCULE-6992158794, PS-4556, QC-1463, RP24084, SB14969, TRA0012216, VI30273, WT81936, AC-18162, AJ-16112, AK-44112, BR-44112, CJ-02114, SC-06877, ST076731, ZB008098, AB0009795, ST2406222, TR-025839, AM20041213, BB 0259464, FT-0620320, S-2130, 82669-EP2298758A1, 82669-EP2298759A1, 82669-EP2305664A1, 82749-EP2298758A1, 82749-EP2298759A1, 82749-EP2305664A1, I10-0209, C9H6ClNO, cc-596, 5-chloro -1H-indole-3-carbaldehyde, ZINC00164246, CID2795374, A10049, C-4400, 5-Chloroindole-3-carboxaldehyde, 98% - 1G 1g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.014g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.603g/mol
Monoisotopic Mass	179.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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