AG0016GY

1219741-19-1 | 1H-Benzimidazole, 5-chloro-6-iodo-2-(methylsulfonyl)-

AG0016GY

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CAS Number	1219741-19-1
Catalog Number	AG0016GY(AGN-PC-0BUA9Y)
Chemical Name	1H-Benzimidazole, 5-chloro-6-iodo-2-(methylsulfonyl)-
IUPAC Name	6-chloro-5-iodo-2-methylsulfonyl-1H-benzimidazole
InChI	InChI=1S/C8H6ClIN2O2S/c1-15(13,14)8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChI Key	FPBJKUTYRBSQNK-UHFFFAOYSA-N
MDL Number	MFCD24387215
Molecular Formula	C8H6ClIN2O2S
Molecular Weight	356.5679
SMILES	O=S(C1=NC2=CC(I)=C(Cl)C=C2N1)(C)=O
Synonyms	1219741-19-1, 5-chloro-6-iodo-2-(methylsulfonyl)-1H-benzo[d]imidazole, 6-Chloro-5-iodo-2-(methylsulfonyl)-1H-benzo[d]imidazole, AK144435, 6-chloro-5-iodo-2-methylsulfonyl-1H-benzimidazole, SCHEMBL2261981, FPBJKUTYRBSQNK-UHFFFAOYSA-N, KS-00000S0M, MFCD24387215, ZINC95933580, AKOS022186055, AKOS024463745, CS-W006312, DS-7869, DA-14228, AX8283056, 4CH-001701, FT-0756717, 6-chloro-5-iodo-2-methanesulfonyl-1H-benzoimidazole, 6-chloro-5-iodo-2-(methylsulfonyl)-1H-benzimidazole, 1H-Benzimidazole, 5-chloro-6-iodo-2-(methylsulfonyl)-, 5-CHLORO-6-IODO-2-METHANESULFONYL-1H-1,3-BENZODIAZOLE,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	355.888g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.562g/mol
Monoisotopic Mass	355.888g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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