AG0008W4

1135283-10-1 | Benzene, 1-ethynyl-2-methoxy-4-nitro-

AG0008W4

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CAS Number	1135283-10-1
Catalog Number	AG0008W4(AGN-PC-0WAMPO)
Chemical Name	Benzene, 1-ethynyl-2-methoxy-4-nitro-
IUPAC Name	1-ethynyl-2-methoxy-4-nitrobenzene
InChI	InChI=1S/C9H7NO3/c1-3-7-4-5-8(10(11)12)6-9(7)13-2/h1,4-6H,2H3
InChI Key	IYZORHPOENKIKL-UHFFFAOYSA-N
MDL Number	MFCD11840985
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=[N+](C1=CC=C(C#C)C(OC)=C1)[O-]
Synonyms	1-ethynyl-2-methoxy-4-nitrobenzene, 1135283-10-1, AK-69974, ethynylmethoxynitrobenzene, SCHEMBL1359566, CTK6J6667, IYZORHPOENKIKL-UHFFFAOYSA-N, KS-00000O8P, FCH923176, MFCD11840985, SBB089243, ZINC32911352, AKOS005071699, AD-0796, MCULE-9322328245, RP10737, Benzene, 1-ethynyl-2-methoxy-4-nitro-, AJ-85544, AX8200929, TR-064262, ST24038004,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number