AG007QO0

117954-70-8 | 1-Tosyl-1H-pyrrole-3-carbaldehyde

AG007QO0

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CAS Number	117954-70-8
Catalog Number	AG007QO0(AGN-PC-0N3GBB)
Chemical Name	1-Tosyl-1H-pyrrole-3-carbaldehyde
IUPAC Name	1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
InChI	InChI=1S/C12H11NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-7-6-11(8-13)9-14/h2-9H,1H3
InChI Key	UJCPINMMJOQEOT-UHFFFAOYSA-N
MDL Number	MFCD00667757
Molecular Formula	C12H11NO3S
Molecular Weight	249.2856
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(C=O)=C1
Synonyms	1-TOSYL-1H-PYRROLE-3-CARBALDEHYDE, 117954-70-8, 1-(Toluene-4-sulfonyl)-1H-pyrrole-3-carbaldehyde, 1H-Pyrrole-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-, ACMC-20acil, 1-tosylpyrrole-3-carbaldehyde, SCHEMBL1504599, CTK0C4612, DTXSID10438971, UJCPINMMJOQEOT-UHFFFAOYSA-N, 2939AA, ANW-67147, MFCD00667757, ZINC38676537, AKOS015995006, RP28855, AJ-96831, AS-41386, SC-14582, AB0079709, AX8238240, TC-155892, 1-(p-Tolylsulfonyl)pyrrole-3-carboxaldehyde, Z-9154, 1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxaldehyde, C12H11NO3S, 1-Tosyl-1H-pyrrole-3-carbaldehyde,, CID10377367, 1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.046g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.284g/mol
Monoisotopic Mass	249.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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