AG00DITD

5323-47-7 | N,N-Diethyl-4-nitrobenzamide

AG00DITD

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CAS Number	5323-47-7
Catalog Number	AG00DITD(AGN-PC-0JNA39)
Chemical Name	N,N-Diethyl-4-nitrobenzamide
IUPAC Name	N,N-diethyl-4-nitrobenzamide
InChI	InChI=1S/C11H14N2O3/c1-3-12(4-2)11(14)9-5-7-10(8-6-9)13(15)16/h5-8H,3-4H2,1-2H3
InChI Key	JLZWKZDHHREXTA-UHFFFAOYSA-N
MDL Number	MFCD00454141
Molecular Formula	C11H14N2O3
Molecular Weight	222.2405
NSC Number	2768
SMILES	O=C(N(CC)CC)C1=CC=C([N+]([O-])=O)C=C1
Synonyms	N,N-DIETHYL-4-NITROBENZAMIDE, 5323-47-7, N,N-Diethyl-4-nitro-benzamide, JLZWKZDHHREXTA-UHFFFAOYSA-N, Benzamide, N,N-diethyl-4-nitro-, MFCD00454141, NSC2768, ACMC-209l4x, AC1L58JD, AC1Q5AR3, Oprea1_656544, N,N-diethyl 4-nitrobenzamide, ARONIS014004, SCHEMBL12155288, CTK1H5096, ZINC73735, DTXSID60277534, Benzamide, 4-nitro-N,N-diethyl-, KS-000044JJ, NSC-2768, ANW-31663, STL257134, AKOS000502968, N,N-diethyl(4-nitrophenyl)carboxamide, p-(N,N-diethylcarbamoyl) nitrobenzene, MCULE-2802314530, ST023321, TC-120408, V6435, B-8418, SR-01000405522, SR-01000405522-1, C11H14N2O3, AR-1K2054, CID220267, 1070879-77-4,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.1g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.244g/mol
Monoisotopic Mass	222.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number