AG003SHO

42137-88-2 | N,N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE

AG003SHO

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CAS Number	42137-88-2
Catalog Number	AG003SHO(AGN-PC-0WAFXK)
Chemical Name	N,N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDE
EC Number	255-677-7
IUPAC Name	N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
InChI	InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChI Key	PTVBBIMKLOMGSY-UHFFFAOYSA-N
MDL Number	MFCD00018944
Molecular Formula	C11H15Cl2NO2S
Molecular Weight	296.2133
NSC Number	49364
SMILES	O=S(C1=CC=C(C)C=C1)(N(CCCl)CCCl)=O
Synonyms	42137-88-2, N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide, N,N-Bis(2-chloroethyl)-p-toluenesulphonamide, PTVBBIMKLOMGSY-UHFFFAOYSA-N, MFCD00018944, N,N-Bis(.beta.-chloroethyl)-p-toluenesulfonamide, NSC49364, EINECS 255-677-7, AC1L3VMX, AC1Q2LHS, AC1Q6TZQ, SCHEMBL398044, CTK8G1361, KS-00000GPQ, DTXSID20194970, ZINC156537, ACT03803, 5807AB, NSC-49364, AKOS003348366, API0003462, CB-2303, DS-4657, MCULE-5312723451, ACM42137882, ANGC-42137-88-2, AK116539, AB1002830, AX8141841, BC2137348, DB-050855, B4059, FT-0629408, N,N-bis(2-chloroethyl)-4-toluenesulfonamide, ST24031242, A-8193, C-58019, I14-7955, N,N-bis(2'-chloroethyl)-4-methylbenzenesulfonamide, N,N-bis(2-chloroethyl)-4-methylbenzene sulfonamide, N,N-bis(2-chloroethyl)-4-methylbenzene sulphonamide, Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-, N,N-Bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide, N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide; N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide, C11H15Cl2NO2S, CID96039, C11-H15-Cl2-N-O2-S, AR-1K1310, N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE, 4542-32-9,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.02g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.206g/mol
Monoisotopic Mass	295.02g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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