AG003HSV

31515-43-2 | 1-Nitro-2-(phenylsulfonyl)benzene

AG003HSV

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CAS Number	31515-43-2
Catalog Number	AG003HSV(AGN-PC-0WBOI1)
Chemical Name	1-Nitro-2-(phenylsulfonyl)benzene
EC Number	250-672-6
IUPAC Name	1-(benzenesulfonyl)-2-nitrobenzene
InChI	InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
InChI Key	GKNMUCPEXSCGKC-UHFFFAOYSA-N
MDL Number	MFCD00035921
Molecular Formula	C12H9NO4S
Molecular Weight	263.2692
NSC Number	624231
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)(C2=CC=CC=C2)=O
Synonyms	2'-nitrophenylphenylsulfone, NSC 624231, NSC-624231, 31515-43-2, 2-Nitrophenyl phenyl sulfone, 1-Nitro-2-(phenylsulfonyl)benzene, 2-Nitrodiphenyl Sulfone, 2-Nitro diphenyl sulfone, Benzene, 1-nitro-2-(phenylsulfonyl)-, 1-(benzenesulfonyl)-2-nitrobenzene, 1-Nitro-2-(phenylsulphonyl)benzene, 2-nitrophenylphenylsulfone, 2NO2Ph-SO2-Ph, NSC624231, 2'-Nitrophenylphenylsulfone, W-106894, SMR000554655, o-Nitrophenyl phenyl sulfone, Sulfone, o-nitrophenyl phenyl, EINECS 250-672-6, NSC 624231, NSC-624231, 2-Nitrodiphenylsulfone, PubChem10856, ACMC-209hn5, AC1L22CT, MLS001074875, MLS001194868, AC1Q1Y37, BDBM2484, CHEMBL291558, SCHEMBL2041279, Jsp005877, CTK4G7261, GKNMUCPEXSCGKC-UHFFFAOYSA-N, 2-nitro-1-(phenylsulfonyl)benzene, HMS2867D03, ZINC247943, KS-000016OO, ZX-AT011592, 2-Nitrophenyl phenyl sulfone, 97%, 1-(benzenesulfonyl)-2-nitro-benzene, ANW-27135, MFCD00035921, 1-Nitro-2-(phenylsulfonyl)benzene #, 2-nitrophenyl phenyl sulfone (NPPS), Benzene,1-nitro-2-(phenylsulfonyl)-, AKOS001572921, FS-4079, MCULE-4646095067, RP29370, VZ25044, ACM31515432, NCGC00245833-01, AC-11156, AJ-18346, CC-11691, L323, NCI60_007284, ST092363, ZB009809, AX8020165, TC-115880, TL8006865, EU-0034728, FT-0613156, N0762, 515N432, A820883, C-34239, SR-01000400087, I09-1447, SR-01000400087-1, InChI=1/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9, NPPS, D0KF0N, C12H9NO4S, 1-Benzenesulfonyl-2-nitro-benzene, C12-H9-N-O4-S, CID64984, 144113-81-5,

Complexity	389
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.025g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.267g/mol
Monoisotopic Mass	263.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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