AG00DKFC

454-65-9 | 3-Bromobenzenesulfonyl fluoride

AG00DKFC

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CAS Number	454-65-9
Catalog Number	AG00DKFC(AGN-PC-0J0XLV)
Chemical Name	3-Bromobenzenesulfonyl fluoride
IUPAC Name	3-bromobenzenesulfonyl fluoride
InChI	InChI=1S/C6H4BrFO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChI Key	LELPUBDFQNSHLE-UHFFFAOYSA-N
MDL Number	MFCD22053310
Molecular Formula	C6H4BrFO2S
Molecular Weight	239.0622
SMILES	Brc1cccc(c1)S(=O)(=O)F
Synonyms	3-Bromobenzenesulfonyl fluoride, 454-65-9, 3-Bromobenzene-1-sulfonyl fluoride, ACMC-209k2l, 3-Bromophenylsulfonyl fluoride, SCHEMBL3831188, 3-bromo-benzenesulfonyl fluoride, CTK8B1712, KS-00000TJR, DTXSID00743086, LELPUBDFQNSHLE-UHFFFAOYSA-N, ANW-30283, BBL102349, MFCD22053310, STL556149, AKOS025295342, ZINC100016968, AK270381, DS-10981, SC-53468, TC-119028, 3-Bromobenzenesulfonyl fluoride, 95% (GC), V6027, K-9032, C6H4BrFO2S,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.91g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.058g/mol
Monoisotopic Mass	237.91g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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