AG003FOF

4074-25-3 | 1,3,5-Tri-tert-butyl-2-nitrobenzene

AG003FOF

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CAS Number	4074-25-3
Catalog Number	AG003FOF(AGN-PC-0JLQVD)
Chemical Name	1,3,5-Tri-tert-butyl-2-nitrobenzene
EC Number	223-789-5
IUPAC Name	1,3,5-tritert-butyl-2-nitrobenzene
InChI	InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3
InChI Key	IMDZOFHRUMJNQR-UHFFFAOYSA-N
MDL Number	MFCD00008818
Molecular Formula	C18H29NO2
Molecular Weight	291.4284
SMILES	O=[N+](C1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1C(C)(C)C)[O-]
Synonyms	4074-25-3, 2,4,6-Tri-tert-butylnitrobenzene, 1,3,5-Tri-tert-butyl-2-nitrobenzene, 2,4,6-tri-t-Butylnitrobenzene, 1,3,5-Tri(tert-butyl)-2-nitrobenzene, 2,4,6 Tri-tert-butylnitrobenzene, 1,3,5-Tritert-butyl-2-nitrobenzene, 2-Nitro-1,3,5-tri-tert-butylbenzene, AH-034/04917022, EINECS 223-789-5, ACMC-209jgh, AC1L2TLT, AC1Q1YAX, SCHEMBL4915349, CTK1D7122, DTXSID00193724, IMDZOFHRUMJNQR-UHFFFAOYSA-N, KS-000015EQ, ZINC2166880, ANW-29487, MFCD00008818, 1,3,5-tritert-butyl-2-nitro-benzene, 2-nitro-1,3,5-tritert-butyl-benzene, AKOS015912915, AKOS016845997, 2,4,6-Tri-tert-butyl-1-nitrobenzene, ACM4074253, MCULE-1773603375, Nitrobenzene, 2,4,6-tri-tert-butyl-, OR18810, 1,3,5-Tri-tert-butyl-2-nitro-benzene, 1,3,5-Tritert-butyl-2-nitrobenzene #, 2-nitro-1,3,5-tris(tert-butyl)benzene, 2,4,6-Tri-tert-butylnitrobenzene, 99%, AJ-33804, AK135230, AN-24918, AS-10118, CC-07227, CJ-33354, AX8066405, TC-118232, FT-0606531, ST50308376, C-34750, Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitro-, I14-48112, CID77691, AR-1D3285, C18-H29-N-O2, ZINC02166880, T1821, 2,4,6-Tri-tert-butylnitrobenzene, 95% - 25G 25g, 431-07-2,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.22g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.435g/mol
Monoisotopic Mass	291.22g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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