AG001UT3

16433-96-8 | Benzene, 1-ethynyl-2-nitro-

AG001UT3

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CAS Number	16433-96-8
Catalog Number	AG001UT3(AGN-PC-0K60XT)
Chemical Name	Benzene, 1-ethynyl-2-nitro-
IUPAC Name	1-ethynyl-2-nitrobenzene
InChI	InChI=1S/C8H5NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H
InChI Key	FWAGYANFBMIHFQ-UHFFFAOYSA-N
MDL Number	MFCD01113917
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	C(#C)C1=C(C=CC=C1)[N+](=O)[O-]
Synonyms	1-Ethynyl-2-nitrobenzene, 16433-96-8, 2-Nitrophenylacetylene, 1-ethynyl-2-nitro-benzene, BENZENE, 1-ETHYNYL-2-NITRO-, o-Nitrophenylacetylen, AC1LSSDD, Benzene,1-ethynyl-2-nitro-, SCHEMBL562027, CTK4D1793, DTXSID30363458, KS-00000M8Q, ZINC1410225, 8348AA, ANW-61124, MFCD01113917, STL438106, AKOS000278352, AKOS015912902, AB08305, CS-W006929, MCULE-8437852087, AJ-25728, AK-60568, CJ-23285, DS-16401, DB-019176, ST2403428, TC-149869, 4CH-017053, D1131, FT-0694354, 433E968, J-504617, I14-49243, C8H5NO2, ZINC01410225, CID1493957, Benzene, 1-ethynyl-2-nitro- (6CI, 7CI, 8CI, 9CI),

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number