AG008PR6

75629-57-1 | 1-(4-Chlorobenzyl)-1H-indole-3-carbaldehyde

AG008PR6

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CAS Number	75629-57-1
Catalog Number	AG008PR6(AGN-PC-0JXD3R)
Chemical Name	1-(4-Chlorobenzyl)-1H-indole-3-carbaldehyde
IUPAC Name	1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
InChI	InChI=1S/C16H12ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10-11H,9H2
InChI Key	ZDRQMXCSSAPUMM-UHFFFAOYSA-N
MDL Number	MFCD01051808
Molecular Formula	C16H12ClNO
Molecular Weight	269.7256
SMILES	O=CC1=CN(CC2=CC=C(Cl)C=C2)C3=C1C=CC=C3
Synonyms	oncrasin-1, 1-(4-chlorobenzyl)-1H-indole-3-carbaldehyde, 75629-57-1, Oncrasin-1, Oncrasin 1, 1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde, 1-[(4-chlorophenyl)methyl]-1h-indole-3-carboxaldehyde, 1-(4-Chloro-benzyl)-1H-indole-3-carbaldehyde, MFCD01051808, Oncrasin1, AC1LI0LP, AC1Q3NUZ, Cambridge id 5601604, SCHEMBL4363978, CHEMBL1775048, CTK5E1797, N-4-chlorobenzyl-3-formylindole, ZDRQMXCSSAPUMM-UHFFFAOYSA-N, HMS3677L20, ZINC439476, Oncrasin-1, >=98% (HPLC), 1-(4-chlorobenzyl)-3-formylindole, ALBB-001442, KS-000017TC, ZX-AH008670, ZX-AN001426, ZX-CM015995, 9266AE, BBL015259, SBB014368, STK347777, AKOS000111546, CS-3171, MCULE-9487136572, ABA-6189555, N-4-chlorobenzylindole-3-carboxaldehyde, 1-(4-chlorobenzyl)indole-3-carbaldehyde, AJ-22876, HY-16662, AB0221339, BB0217526, DB-017303, ST4134104, TR-051730, BB 0217526, FT-0734916, O0450, EN300-228659, W-7829, 1-(4-Chlorobenzyl)-1H-indole-3-carboxaldehyde, AB00090171-01, 1-(4-CHLORO-BENZYL)-1 H-INDOLE-3-CARBALDEHYDE, 1h-indole-3-carboxaldehyde, 1-[(4-chlorophenyl)methyl]-, C16H12ClNO, KST-1B8435, AR-1B1812, CID872445, ZINC00439476, 1- -1H-INDOLE-3-CARBALDEHYDE, A4454, A15333, C532252, 76483-87-9,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.061g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.728g/mol
Monoisotopic Mass	269.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number