AG002CE6

19983-44-9 | 1,1-Dioxide-6-nitro-benzo[b]thiophene

AG002CE6

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CAS Number	19983-44-9
Catalog Number	AG002CE6(AGN-PC-0KKZV2)
Chemical Name	1,1-Dioxide-6-nitro-benzo[b]thiophene
IUPAC Name	6-nitro-1-benzothiophene 1,1-dioxide
InChI	InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
InChI Key	ZRRGOUHITGRLBA-UHFFFAOYSA-N
MDL Number	MFCD00173799
Molecular Formula	C8H5NO4S
Molecular Weight	211.1946
SMILES	O=[N+](C1=CC=C(C=CS2(=O)=O)C2=C1)[O-]
Synonyms	stattic, Stattic, 19983-44-9, 6-Nitrobenzo[b]thiophene 1,1-dioxide, 6-nitro-1-benzothiophene 1,1-dioxide, 6-Nitrobenzo[b]thiophene-1,1-dioxide, STAT3 Inhibitor V, Stattic, Stat three inhibitory compound, 6-nitro-1, CHEMBL1337170, Benzo[b]thiophene, 6-nitro-, 1,1-dioxide, 1,1-DIOXIDE-6-NITRO-BENZO[B]THIOPHENE, STAT3 INHIBITOR V, CHEBI:86989, MFCD00173799, 6-nitro-1lambda6-benzothiophene-1,1-dione, AC1MCWHD, Maybridge1_005148, AC1Q1Y5K, SCHEMBL1156180, CTK8E5442, HMS556B22, DTXSID70381575, ZRRGOUHITGRLBA-UHFFFAOYSA-N, 6-nitrobenzo[b]thiole-1,1-dione, HMS3263A18, HMS3652H16, ZINC162014, BCP13194, EX-A1455, KS-00001B3K, Tox21_501048, 2729AH, BDBM50396169, s7024, SBB094472, Stattic, >=98% (HPLC), powder, AKOS000276641, AKOS025243444, CCG-222352, CS-5879, LP01048, MCULE-5346278112, PB27460, PS-4432, TRA0088883, 6-nitro-1H-1-benzothiophene-1,1-dione, NCGC00167848-01, NCGC00167848-02, NCGC00167848-03, NCGC00261733-01, AJ-15871, AK126639, CJ-02028, HY-13818, ZB007774, 6-Nitro-1H-benzo[b]thiophene-1,1-dione, 6-nitro-1lambda-benzothiophene-1,1-dione, TX-017334, 6-nitro-1$l^{6}-benzothiophene-1,1-dione, FT-0621264, SW219435-1, EC-000.2451, EN300-49874, 6-NITRO-1??-BENZOTHIOPHENE-1,1-DIONE, Q-1306, J-012915, 6-nitro-1H-1lambda~6~-benzo[b]thiophene-1,1-dione, I14-34997, Z600430292, C8H5NO4S, ZINC00162014, 6-Nitro-benzo[b]thiophen-1,1-dioxid, CID2779853, A2224, A12733, C517409,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.191g/mol
Monoisotopic Mass	210.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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