AG002ZBV

2976-30-9 | BENZENE, 1-(METHYLSULFONYL)-4-NITRO-

AG002ZBV

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CAS Number	2976-30-9
Catalog Number	AG002ZBV(AGN-PC-0JNUSG)
Chemical Name	BENZENE, 1-(METHYLSULFONYL)-4-NITRO-
IUPAC Name	1-methylsulfonyl-4-nitrobenzene
InChI	InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key	XONGBDXIFQIQBN-UHFFFAOYSA-N
MDL Number	MFCD00047803
Molecular Formula	C7H7NO4S
Molecular Weight	201.1998
NSC Number	87342
SMILES	O=[N+](C1=CC=C(S(=O)(C)=O)C=C1)[O-]
Synonyms	1-(Methylsulfonyl)-4-nitrobenzene, 2976-30-9, Methyl 4-nitrophenyl sulfone, 4-methylsulfonylnitrobenzene, Sulfone, methyl p-nitrophenyl, 1-methylsulfonyl-4-nitrobenzene, 1-Methanesulfonyl-4-nitrobenzene, Methyl p-nitrophenyl sulfone, 4-methylsulfonyl nitrobenzene, Benzene, 1-(methylsulfonyl)-4-nitro-, 4-Methylsulfonyl nitro benzene, XONGBDXIFQIQBN-UHFFFAOYSA-N, 1-(methylsulphonyl)-4-nitrobenzene, MFCD00047803, PubChem10831, ACMC-20ap9i, AC1L5YXU, AC1Q6TTW, Maybridge1_006283, NCIOpen2_005288, 4-Methylsulfonyl-nitrobenzene, Methyl 4-nitrophenyl sulphone, Methyl(4-nitrophenyl) sulfone, SCHEMBL515001, 4-(Methylsulfonyl)nitrobenzene, methyl (4-nitrophenyl) sulfone, CTK4G3775, HMS559F13, XONGBDXIFQIQBN-UHFFFAOYSA-, ZINC81124, DTXSID10293128, 1-methanesulfonyl-4-nitro-benzene, NSC87342, NSC-87342, SBB092753, STK687643, 1-(Methylsulfonyl)-4-nitrobenzene #, Benzene,1-(methylsulfonyl)-4-nitro-, AKOS001051678, MCULE-4133396310, RP25850, VZ35530, AJ-10542, ZB002883, DB-047645, ST4125144, TC-172413, TL8006886, FT-0605836, K-7190, J-503572, I14-93870, A3977/0169432, InChI=1/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3, 1- -4-NITROBENZENE, AR-1J5463, CID258434, 29933-95-7,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.196g/mol
Monoisotopic Mass	201.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number