AG00D8HD

50562-79-3 | 1-[(4-Methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde

AG00D8HD

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CAS Number	50562-79-3
Catalog Number	AG00D8HD(AGN-PC-0JVO2K)
Chemical Name	1-[(4-Methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde
IUPAC Name	1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
InChI	InChI=1S/C16H13NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-11H,1H3
InChI Key	OIPHRFQIBIQGJF-UHFFFAOYSA-N
MDL Number	MFCD00238944
Molecular Formula	C16H13NO3S
Molecular Weight	299.3443
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N1C=C(C=O)C2=C1C=CC=C2
Synonyms	50562-79-3, 1-Tosyl-1H-indole-3-carbaldehyde, 1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde, 1-(Toluene-4-sulfonyl)-1H-indole-3-carbaldehyde, MLS000777503, N-tosyl-indole-3-carboxaldehyde, 1-(4-methylphenyl)sulfonylindole-3-carbaldehyde, SMR000413897, 1-(4-methylphenyl)sulfonyl-3-indolecarboxaldehyde, 1-(4-Methylbenzenesulfonyl)-1H-indole-3-carbaldehyde, 1-[(4-methylphenyl)sulfonyl]-1-h-indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde,1-[(4-methylphenyl)sulfonyl]-, AC1LEGQ5, AC1Q2LIB, AC1Q6U1Z, Oprea1_458435, Oprea1_732980, 1-tosylindole-3-carbaldehyde, CBDivE_002464, SCHEMBL946372, cid_735817, CHEMBL1418255, BDBM78878, CTK4J2803, DTXSID30352842, OIPHRFQIBIQGJF-UHFFFAOYSA-N, HMS2744A14, ZINC153447, KS-000021JA, ZX-AT022117, ZX-AV000411, 1-tosyl-1H-indole-3-carboxaldehyde, methylphenylsulfonylindolecarbaldehyde, 6971AB, ANW-74162, BBL023440, MFCD00238944, STK013721, AKOS001586432, MCULE-4501870302, OR27555, QC-1399, RP16054, VI30110, ACM50562793, AJ-12984, CC-03565, ZB005447, AB0095089, AX8008722, DB-004910, TR-018060, FT-0607076, ST45100455, 9P-917, EN300-235809, Y-9518, 1-(4-methylbenzenesulfonyl)indole-3-carbaldehyde, AB00644608-06, 1-[(4-methylphenyl)sulfonyl]indole-3-carbaldehyde, A828175, C-18711, 1-(Toluene-4-sulfonyl)-1 H -indole-3-carbaldehyde, 1-[(4-methylphenyl)sulphonyl]indole-3-carbaldehyde, I10-1235, J-505161, 1-(4-Methylphenylsulfonyl)-1H-indole-3-carbaldehyde, F2189-0172, 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde, 1-[(4-methylphenyl)sulphonyl]-1h-indole-3-carboxaldehyde, 1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-, C16H13NO3S, KST-1B4618, AR-1B8717, CID735817, ZINC00153447, 509-52-4,

Complexity	476
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.062g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	299.344g/mol
Monoisotopic Mass	299.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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