AG001NJE

1550-27-2 | 2-Nitro-4-(trifluoromethylsulfonyl)chlorobenzene

AG001NJE

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CAS Number	1550-27-2
Catalog Number	AG001NJE(AGN-PC-0K6NIP)
Chemical Name	2-Nitro-4-(trifluoromethylsulfonyl)chlorobenzene
IUPAC Name	1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene
InChI	InChI=1S/C7H3ClF3NO4S/c8-5-2-1-4(3-6(5)12(13)14)17(15,16)7(9,10)11/h1-3H
InChI Key	BDIMBZRJVHLTPD-UHFFFAOYSA-N
MDL Number	MFCD00435125
Molecular Formula	C7H3ClF3NO4S
Molecular Weight	289.6162
SMILES	[O-][N+](C1=C(Cl)C=CC(S(C(F)(F)F)(=O)=O)=C1)=O
Synonyms	1550-27-2, 2-nitro-4-(trifluoromethylsulfonyl)chlorobenzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene, 1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene, 1-Chloro-2-nitro-4-trifluoromethanesulfonyl-benzene, 1-chloro-2-nitro-4-trifluoromethanesulfonylbenzene, 1-chloro-2-nitro-4-((trifluoromethyl)sulfonyl)benzene, Benzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]-, AC1Q1WXL, AC1LU62U, SCHEMBL1368288, CTK0I4345, DTXSID60364271, BDIMBZRJVHLTPD-UHFFFAOYSA-N, ZINC1507125, BBL018526, MFCD00435125, STK370821, AKOS000122243, MCULE-8277690283, CJ-23757, AB0127212, DB-043251, EU-0000168, FT-0633656, ST50557962, V3512, EN300-01826, 2-nitro-4-trifluoromethylsulfonyl-chlorobenzene, L-4489, 2-nitro-4-(trifluoromethylsulfonyl) chlorobenzene, A809599, SR-01000390076, SR-01000390076-1, 1-chloranyl-2-nitro-4-(trifluoromethylsulfonyl)benzene, 1-Chloro-2-nitro-4-[(trifluoromethyl)-sulfonyl]benzene, F0293-0022, C7H3ClF3NO4S, ZINC01507125, CID1547956,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.942g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.609g/mol
Monoisotopic Mass	288.942g/mol
Rotatable Bond Count	1
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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