AG003LTU

65039-18-1 | 4-N-DODECYLOXYNITROBENZENE

AG003LTU

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CAS Number	65039-18-1
Catalog Number	AG003LTU(AGN-PC-0JMTOJ)
Chemical Name	4-N-DODECYLOXYNITROBENZENE
IUPAC Name	1-dodecoxy-4-nitrobenzene
InChI	InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3
InChI Key	VZOAOBWVYOLSII-UHFFFAOYSA-N
MDL Number	MFCD00024678
Molecular Formula	C18H29NO3
Molecular Weight	307.4278
SMILES	CCCCCCCCCCCCOc1ccc(cc1)[N+]([O-])=O
Synonyms	65039-18-1, 4-Nitrophenyl dodecyl ether, Dodecyl 4-nitrophenyl ether, 1-Dodecyloxy-4-nitrobenzene, p-Dodecyloxynitrobenzene, 4-N-Dodecyloxynitrobenzene, p-Nitrophenyl dodecyl ether, 1-(Dodecyloxy)-4-nitrobenzene, FR-1088, 4-Dodecyloxynitrobenzene, 1-dodecoxy-4-nitrobenzene, ACMC-209np5, 1-Lauryloxy-4-nitrobenzene, AC1L3OI6, Lauryl 4-Nitrophenyl Ether, SCHEMBL9232088, CTK8B2106, DTXSID10215360, VZOAOBWVYOLSII-UHFFFAOYSA-N, 1-(Dodecyloxy)-4-nitrobenzene #, ANW-34983, MFCD00024678, SBB008229, AKOS015839886, ZINC100021765, MCULE-9225066607, TR-022188, D2029, FT-0640988, ST50410350, CID144094,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.215g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.434g/mol
Monoisotopic Mass	307.215g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number