AG00ICPC

7612-88-6 | Benzenesulfonyl fluoride, 4-(bromomethyl)-

AG00ICPC

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CAS Number	7612-88-6
Catalog Number	AG00ICPC(AGN-PC-0JM3K7)
Chemical Name	Benzenesulfonyl fluoride, 4-(bromomethyl)-
IUPAC Name	4-(bromomethyl)benzenesulfonyl fluoride
InChI	InChI=1S/C7H6BrFO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChI Key	WWAPDVQUZYCNCR-UHFFFAOYSA-N
MDL Number	MFCD28098665
Molecular Formula	C7H6BrFO2S
Molecular Weight	253.0887
NSC Number	212498
SMILES	O=S(C1=CC=C(CBr)C=C1)(F)=O
Synonyms	1-ethyl-2-pyrrolidinylmethyl-alpha-phenylcyclopentylglycolate - 1-ethyl-3-piperidyl-alpha-phenylcyclopentylglycolate, 1-ethyl-2-pyrrolidinylmethyl-alpha-phenylcyclopentylglycolate, 1-ethyl-3-piperidyl-alpha-phenylcyclopentylglycolate drug combination, Ditran, JB 329, 4-(Bromomethyl)benzenesulfonyl fluoride, 7612-88-6, 4-(Bromomethyl)benzene-1-sulfonyl fluoride, Benzenesulfonyl fluoride, 4-(bromomethyl)-, 8015-54-1, NSC212498, p-Toluenesulfonyl fluoride, alpha-bromo-, AC1L40TI, AC1Q27P7, SCHEMBL7769099, CTK8D5153, DTXSID60226986, AKOS030547557, ZINC100191622, ES-2173, FCH2572164, NSC-212498, 4-(Bromomethyl)benzenesulfonyl fluoride, 97%, EN300-224404, C7H6BrFO2S, C7-H6-Br-F-O2-S, CID99329, AR-1F6721,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.926g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.085g/mol
Monoisotopic Mass	251.926g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H314
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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