AG00ID99

82711-97-5 | 5-Fluoro-2-nitrobenzene-1-sulfonyl chloride

AG00ID99

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CAS Number	82711-97-5
Catalog Number	AG00ID99
Chemical Name	5-Fluoro-2-nitrobenzene-1-sulfonyl chloride
IUPAC Name	5-fluoro-2-nitrobenzenesulfonyl chloride
InChI	InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-3-4(8)1-2-5(6)9(10)11/h1-3H
InChI Key	ALKFOTRKZGCLFU-UHFFFAOYSA-N
MDL Number	MFCD11858121
Molecular Formula	C6H3ClFNO4S
Molecular Weight	239.6087
SMILES	O=S(C1=CC(F)=CC=C1[N+]([O-])=O)(Cl)=O
Synonyms	5-fluoro-2-nitrobenzene-1-sulfonyl chloride, 82711-97-5, 5-Fluoro-2-nitrophenylsulfonyl chloride, 5-fluoro-2-nitrobenzenesulfonyl chloride, AC1Q1WU7, SCHEMBL1670193, CTK7B9582, ALKFOTRKZGCLFU-UHFFFAOYSA-N, MFCD11858121, ZINC100580753, NE20943, 5-fluoro-2-nitro-benzenesulfonyl chloride, AK548861, AS-46459, 2-Nitro-5-fluorobenzenesulfonic acid chloride, EN300-43690,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.946g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.601g/mol
Monoisotopic Mass	238.946g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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