AG004V37

86030-08-2 | 4-Chloro-2-nitro-1-(phenylsulfonyl)benzene

AG004V37

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CAS Number	86030-08-2
Catalog Number	AG004V37(AGN-PC-0JPC14)
Chemical Name	4-Chloro-2-nitro-1-(phenylsulfonyl)benzene
IUPAC Name	1-(benzenesulfonyl)-4-chloro-2-nitrobenzene
InChI	InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
InChI Key	VZDUQPHKUBZMLW-UHFFFAOYSA-N
MDL Number	MFCD00052250
Molecular Formula	C12H8ClNO4S
Molecular Weight	297.7142
SMILES	O=[N+](C1=CC(Cl)=CC=C1S(=O)(C2=CC=CC=C2)=O)[O-]
Synonyms	86030-08-2, 4-Chloro-2-nitro-1-(phenylsulfonyl)benzene, BTB1, BTB-1, 4-Chloro-2-nitrodiphenyl sulfone, 1-(benzenesulfonyl)-4-chloro-2-nitrobenzene, NSC156750, 4-Chloro-2-nitrodiphenylsulfone, NSC 156750, 1-Benzenesulfonyl-4-chloro-2-nitro-benzene, 4-Chloro-2-nitrodiphenyl sulphone, NSC658180, NSC-156750, 4-Chloranyl-2-Nitro-1-(Phenylsulfonyl)benzene, 1-(benzenesulfonyl)-4-chloro-2-nitro-benzene, BTB 1, 4-chloro-2-nitrophenyl phenyl sulfone, AC1L6FWV, AC1Q6TOW, Maybridge1_000740, CHEMBL1990168, SCHEMBL11727447, CTK5F6205, HMS543J14, DTXSID40235359, ZINC150557, BCP28975, KS-00003GY0, ZX-AT003249, BTB 02874, LABOTEST-BB LT01147747, MFCD00052250, SBB058435, 2-Benzenesulfonyl-5-chloronitrobenzene, AKOS015840629, AS-5263, CCG-234038, CS-6523, MCULE-6069490749, NSC 658180, NSC-658180, OR21208, RP06796, AK325740, NCI60_020339, ZB005078, 1-Benzenesulfonyl-4-chloro-2-nitrobenzene, HY-101770, TR-031070, FT-0618036, ST51021127, Y4359, Benzene,4-chloro-2-nitro-1-(phenylsulfonyl)-, C-18636, J-514978, I01-13482, (5-Chloro-2-(phenylsulfonyl)phenyl)(hydroxy)azane oxide, 9V5, BIS-TRIS BUFFER, C12H8ClNO4S, AR-1G1595, CID291461, 87395-64-0,

Complexity	422
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.986g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.709g/mol
Monoisotopic Mass	296.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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