AG003L62

479633-63-1 | 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine

AG003L62

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CAS Number	479633-63-1
Catalog Number	AG003L62(AGN-PC-0730ST)
Chemical Name	4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name	4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
InChI	InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3
InChI Key	BTOJSYRZQZOMOK-UHFFFAOYSA-N
MDL Number	MFCD09907939
Molecular Formula	C13H10ClN3O2S
Molecular Weight	307.7554
SMILES	ClC1=NC=NC2=C1C=C[N]2[S](=O)(=O)C3=CC=C(C)C=C3
Synonyms	479633-63-1, 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, Tofacitinib Impurity 09, 7H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-7-[(4-METHYLPHENYL)SULFONYL]-, MFCD09907939, AK-24542, 4-CHLORO-7-(P-TOLYLSULFONYL)PYRROLO[2,3-D]PYRIMIDINE, 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine, W-202839, 4-Chloro-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, Tofacitinib Impurity R, PubChem12580, AC1Q2LIE, AMTH013, SCHEMBL1356181, CTK4J0519, DTXSID00657957, BTOJSYRZQZOMOK-UHFFFAOYSA-N, BCP10944, CS-B0636, AB3582, ANW-51139, ZINC36377905, AKOS015850477, CM14195, NE-0001, PB32814, RP07629, TRA0093694, AC-27053, ACM479633631, AJ-92668, BR-24542, OR317249, SC-70259, SY024673, TZ001086, AB0009259, AB1011751, AX8157719, DB-070899, ST1191213, TR-017597, 4CH-007810, AM20040542, FT-0647139, Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine, MFCD09907939 (97%), 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin, A-6489, 4-CHLORO-7-[(4-METHYLPHENYL)SULFONYL]-, 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine?, A827409, S14-0862, 4-Chloro-7-(toluene-4-sulfonyl)-7H-pyrrolo[2,3-d], 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine, AldrichCPR, 4-chloro-7-(4-methylbenzenesulfonyl)pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine, 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, 4-chloranyl-7-(4-methylphenyl)sulfonyl-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(4-methyl-benzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(4-methylbenzenesulphonyl)-7H-pyrrolo[2,3-d]pyrimidine, 4-CHLORO-7-P-TOLUENESULPHONYL-7H-PYRROLO[2,3-D]PYRIMIDINE, 4-Chloro-7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, 4-CHLORO-7-[(4-METHYLBENZENE)SULFONYL]-7H-PYRROLO[2,3-D]PYRIMIDINE, 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-7-[(4-methylphenyl)sulfonyl]-, null, PYRIMIDINE, C13H10ClN3O2S, ACN-050044, C3036, 4-Chloro-7-tosyl-7H-pyrrolo[2,3d]pyrimidine, 4-Chloro-7-(4-methylbenzenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine, 97% - 10G 10g,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.018g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.752g/mol
Monoisotopic Mass	307.018g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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