AG007BIA

109113-39-5 | 1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine

AG007BIA

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CAS Number	109113-39-5
Catalog Number	AG007BIA(AGN-PC-01Z3RP)
Chemical Name	1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine
IUPAC Name	1-(benzenesulfonyl)pyrrolo[3,2-c]pyridine
InChI	InChI=1S/C13H10N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-10-14-8-6-13(11)15/h1-10H
InChI Key	JXCHTSUBCBYZAV-UHFFFAOYSA-N
MDL Number	MFCD11848711
Molecular Formula	C13H10N2O2S
Molecular Weight	258.2957
SMILES	O=S(=O)(N1C=CC2=CN=CC=C12)C1=CC=CC=C1
Synonyms	1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine, 109113-39-5, 1-(Phenylsulfonyl)-5-azaindole, 1-(Benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine, 1H-Pyrrolo[3,2-c]pyridine, 1-(phenylsulfonyl)-, ACMC-20aeww, 1-benzenesulfonyl 5-aza indole, SCHEMBL2672867, CTK0G2522, DTXSID40451815, JXCHTSUBCBYZAV-UHFFFAOYSA-N, ANW-70254, MFCD11848711, ZINC59727036, 1-BENZENESULFONYL-5-AZAINDOLE, SB11338, AK100425, SC-36317, AX8241375, TC-158999, CS-0054024, ST24021177, 1-Benzenesulfonyl-1H-pyrrolo[3,2-c]pyridine, 1-benzenesulphonyl-1H-pyrrolo[3,2-c]pyridine, W-1390, 1-(BENZENESULFONYL)PYRROLO[3,2-C]PYRIDINE, CID11010657, 9-(benzenesulfonyl)-4,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.046g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.295g/mol
Monoisotopic Mass	258.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

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