AG003FBZ

16968-19-7 | Benzene, 1,​1'-​(1,​2-​ethanediyl)​bis[2-​nitro-

AG003FBZ

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CAS Number	16968-19-7
Catalog Number	AG003FBZ(AGN-PC-0JKJWF)
Chemical Name	Benzene, 1,​1'-​(1,​2-​ethanediyl)​bis[2-​nitro-
EC Number	241-043-7
IUPAC Name	1-nitro-2-[2-(2-nitrophenyl)ethyl]benzene
InChI	InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2
InChI Key	YBOZRPPSBVIHGJ-UHFFFAOYSA-N
MDL Number	MFCD00024296
Molecular Formula	C14H12N2O4
Molecular Weight	272.2561
NSC Number	85868
SMILES	C(Cc1c(N(=O)=O)cccc1)c1c(N(=O)=O)cccc1
Synonyms	2,2'-Dinitrodibenzyl, 16968-19-7, 1,2-Bis(2-nitrophenyl)ethane, 2,2'-Dinitrobibenzyl, Bis(o-nitrobenzyl), BIBENZYL, 2,2'-DINITRO-, o,o'-Dinitrobibenzyl, o,o'-Dinitrodibenzyl, Dinitro-2,2' dibenzyl, Dinitro-2,2' dibenzyl [French], EINECS 241-043-7, NSC 85868, MLS002694658, Benzene, 1,1'-(1,2-ethanediyl)bis[2-nitro-, 1-Nitro-2-[2-(2-nitrophenyl)ethyl]benzene, Benzene,1,1'-(1,2-ethanediyl)bis[2-nitro-, Benzene, 1,1'-(1,2-ethanediyl)bis(2-nitro-, W-107888, NSC85868, Bibenzyl,2'-dinitro-, 2,2\'-Dinitrodibenzyl, AC1L1ERD, NCIOpen2_004869, Oprea1_755917, Benzene, 1,1'-(1,2-ethanediyl)bis(2-nitro- (9CI), SCHEMBL3202573, Jsp003461, CHEMBL1865386, CTK1E9085, DTXSID60168736, YBOZRPPSBVIHGJ-UHFFFAOYSA-N, HMS3085B10, KS-00000MJ7, ZINC1760649, CD0201, MFCD00024296, NSC-85868, 1-nitro-2-(2-nitrophenethyl)benzene, AKOS003064090, MCULE-5893741445, VZ21968, AC-30186, AJ-31578, AK-60395, CJ-29782, DS-16393, LS-43572, SC-48342, SMR001560583, Benzene,1'-(1,2-ethanediyl)bis[2-nitro-, Benzene, 1,1'-(1,2-ethanediyl)bis[nitro-, FT-0637468, 1-Nitro-2-[2-(2-nitrophenyl)ethyl]benzene #, A811134, C-17141, 58704-55-5, 2,2/'-Dinitrobibenzyl, C14H12N2O4, CID28168, C14-H12-N2-O4, D2602,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.08g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.26g/mol
Monoisotopic Mass	272.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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