AG00C6CA

348640-02-8 | 1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-

AG00C6CA

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CAS Number	348640-02-8
Catalog Number	AG00C6CA(AGN-PC-0K5T7M)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-
IUPAC Name	1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI	InChI=1S/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16/h2-10H,1H3
InChI Key	NSNZZTVUYQKEMX-UHFFFAOYSA-N
MDL Number	MFCD02083277
Molecular Formula	C14H12N2O2S
Molecular Weight	272.3223
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CN=C12
Synonyms	1-Tosyl-1H-pyrrolo[2,3-b]pyridine, 348640-02-8, 1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine, 1H-PYRROLO[2,3-B]PYRIDINE, 1-[(4-METHYLPHENYL)SULFONYL]-, 1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine, AK100854, 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine, AN-584/43363401, 1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine, MLS000331284, n-tosyl-7-azaindole, AC1LRZI3, AC1Q2LIF, Oprea1_669808, SCHEMBL1714526, CHEMBL1308760, CTK6B9124, KS-00000QVR, DTXSID70363174, NSNZZTVUYQKEMX-UHFFFAOYSA-N, HMS2364F07, ALBB-030272, BCP14332, CS-B0530, ZINC1392844, ZX-AN081079, 4254AB, ANW-69866, MFCD02083277, AKOS005075991, AB10664, MCULE-6565365844, 10P-414S, ACM348640028, AJ-25531, AN-16240, SMR000168748, 1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine, AX8241767, TR-044885, ST24021385, K-7919, Z-8746, 1-(4-methylbenzenesulfonyl)pyrrolo[2,3-b]pyridine, S14-2065, 1-[(4-methylphenyl)sulphonyl]-1H-pyrrolo[2,3-b]pyridine, 1H-Pyrrolo[2,3-b]pyridine,1-[(4-methylphenyl)sulfonyl]-, 1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine, AldrichCPR, C14H12N2O2S, CID1479966, 1H-Pyrrolo[2,3-b]pyridine,1-[ sulfonyl]-, N/A, 31271-90-6, 885521-25-5, 952182-16-0,

Complexity	410
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.062g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.322g/mol
Monoisotopic Mass	272.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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