AG003TQ8

7605-28-9 | 2-(PHENYLSULFONYL)ACETONITRILE

AG003TQ8

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CAS Number	7605-28-9
Catalog Number	AG003TQ8(AGN-PC-0JLTO7)
Chemical Name	2-(PHENYLSULFONYL)ACETONITRILE
EC Number	231-515-0
IUPAC Name	2-(benzenesulfonyl)acetonitrile
InChI	InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key	ZFCFFNGBCVAUDE-UHFFFAOYSA-N
MDL Number	MFCD00007550
Molecular Formula	C8H7NO2S
Molecular Weight	181.2117
NSC Number	51007
SMILES	N#CCS(=O)(C1=CC=CC=C1)=O
Synonyms	7605-28-9, Benzenesulfonylacetonitrile, 2-(Phenylsulfonyl)acetonitrile, (Phenylsulfonyl)acetonitrile, PHENYLSULFONYLACETONITRILE, Phenylsulphonylacetonitrile, 2-(benzenesulfonyl)acetonitrile, Acetonitrile, (phenylsulfonyl)-, benzenesulphonyl acetonitrile, MFCD00007550, Benzenesulfonyl-acetonitrile, ZFCFFNGBCVAUDE-UHFFFAOYSA-N, 2-(phenylsulfonyl)ethanenitrile, NSC51007, EINECS 231-515-0, PubChem14506, ACMC-1BDRH, Cyanomethylsulfonylbenzene, AI3-16855, AC1Q6UOA, AC1Q6UZE, Maybridge1_004583, phenylsulfonly acetonitrile, phenylsulfonyl acetonitrile, phenylsulfonyl-acetonitrile, benzenesulphonylacetonitrile, SCHEMBL751, Phenylsulphonyl acetonitrile, 2-phenylsulfonylacetonitrile, MLS001143941, AC1L32P9, Acetonitrile, 2-phenylsulfonyl-, CHEMBL1901222, 2-(benzenesulfonyl)-acetonitrile, CTK3J2465, HMS554I07, KS-00000UKR, ZFCFFNGBCVAUDE-UHFFFAOYSA-, DTXSID40226949, HMS2216K24, HMS3358C03, ZINC153519, (Phenylsulfonyl)acetonitrile, 98%, (PHENYL SULFONYL)ACETONITRILE, 1828AC, ANW-36731, NSC-51007, SBB040032, STK328404, AKOS000271283, MCULE-6730738363, PS-3123, RTR-024403, VZ31280, NCGC00247628-01, AJ-13020, SMR000718483, ZB005466, DB-022562, ST2416224, TR-024403, BB 0219425, FT-0605011, P0799, ST45028630, I14-27221, F3122-0050, InChI=1/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2, C8H7NO2S, C8-H7-N-O2-S, KST-1A8298, CID82077, AR-1A7782, 8012-34-8,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.209g/mol
Monoisotopic Mass	181.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301+H311+H331
Precuationary statements	P261-P280-P301+P310-P311
Siginal words

Certificate of Analysis

Lot Number