AG0084WZ

1041026-61-2 | 3,3-bis(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidine

AG0084WZ

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CAS Number	1041026-61-2
Catalog Number	AG0084WZ(AGN-PC-0BGIEM)
Chemical Name	3,3-bis(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidine
IUPAC Name	3,3-bis(bromomethyl)-1-(4-methylphenyl)sulfonylazetidine
InChI	InChI=1S/C12H15Br2NO2S/c1-10-2-4-11(5-3-10)18(16,17)15-8-12(6-13,7-14)9-15/h2-5H,6-9H2,1H3
InChI Key	IOQDNRYTTAIWTH-UHFFFAOYSA-N
MDL Number	MFCD18782896
Molecular Formula	C12H15Br2NO2S
Molecular Weight	397.1260
SMILES	CC1=CC=C(S(N2CC(CBr)(CBr)C2)(=O)=O)C=C1
Synonyms	1041026-61-2, 3,3-Bis(bromomethyl)-1-tosylazetidine, 3,3-Bis(bromomethyl)-1-(p-toluenesulfonyl)azetidine, 3,3-bis(bromomethyl)-1-(4-methylbenzenesulfonyl)azetidine, C12H15Br2NO2S, SCHEMBL896730, CTK8C5159, DTXSID70718468, IOQDNRYTTAIWTH-UHFFFAOYSA-N, ANW-74370, MFCD18782896, AKOS015950469, ZINC100052463, PB16832, RP07531, KS-0000079N, 3,3-Bis(bromomethyl);-1-tosylazetidine, AS-36459, SC-98146, AB0039429, TX-015470, CS-0051638, FT-0686086, Y6893, Q-1554, J-511057, 3,3-bis-bromomethyl-1-(toluene-4-sulfonyl)-azetidine, 3,3-Bis(bromomethyl)-1-(p-toluenesulfonyl)azetidine 95+%, 3,3-Bis(bromomethyl)-1-(4-methylbenzene-1-sulfonyl)azetidine,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	396.917g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	397.125g/mol
Monoisotopic Mass	394.919g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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