AG002ZS2

3032-92-6 | Benzonitrile, 4-ethynyl-

AG002ZS2

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CAS Number	3032-92-6
Catalog Number	AG002ZS2(AGN-PC-0LD1T1)
Chemical Name	Benzonitrile, 4-ethynyl-
IUPAC Name	4-ethynylbenzonitrile
InChI	InChI=1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H
InChI Key	LAGNMUUUMQJXBF-UHFFFAOYSA-N
MDL Number	MFCD04974058
Molecular Formula	C9H5N
Molecular Weight	127.1427
SMILES	C(#C)C1=CC=C(C#N)C=C1
Synonyms	4-Ethynylbenzonitrile, 3032-92-6, 4-Ethynyl-benzonitrile, 4-Ethynylbenzonitrile 97, Benzonitrile, 4-ethynyl-, 4-Cyanophenylacetylene, MFCD04974058, p-cyanophenylacetylene, 4-Ethynyl-Bezonitrile, Benzonitrile,4-ethynyl-, AC1NDB7A, 4-ethynylbenzenecarbonitrile, 4-Ethynylbenzonitrile, 97%, KSC564S8B, SCHEMBL853731, ACMC-20a056, CTK4G4980, DTXSID20404122, LAGNMUUUMQJXBF-UHFFFAOYSA-N, 4-ETHYNYLBENZONITRILE 97, BCP18853, KS-00000EJ5, ZINC2541504, ANW-51112, AKOS015836148, CS-W007419, GS-4324, RTR-013042, TRA0039035, AC-18651, AJ-39187, AK-48898, BR-48898, CJ-09245, SC-45147, SY021679, AB0024079, DB-011339, ST2418342, TR-013042, 4CH-015928, AM20060603, FT-0659453, W5274, MFCD04974058 (97%), S-2353, A820324, I14-7161, J-017912, Z1741970721, C9H5N, 4-ETHYNYLBENZONITRILE97, Benzonitrile, 4-ethynyl- (9CI), CID4547245, 25245-27-6,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.146g/mol
Monoisotopic Mass	127.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Siginal words

Certificate of Analysis

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