CAS 1817-74-9 | Benzene, 1,1'-methylenebis[4-nitro- | CAS Number 1817-74-9

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1817-74-9 | Benzene, 1,1'-methylenebis[4-nitro-

CAS No: 1817-74-9 Catalog No: AG00232B MDL No:MFCD00059184

Product Description

Catalog Number:

AG00232B

Chemical Name:

Benzene, 1,1'-methylenebis[4-nitro-

CAS Number:

1817-74-9

Molecular Formula:

C13H10N2O4

Molecular Weight:

258.2295

MDL Number:

MFCD00059184

IUPAC Name:

1-nitro-4-[(4-nitrophenyl)methyl]benzene

InChI:

InChI=1S/C13H10N2O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2

InChI Key:

GLBZQZXDUTUCGK-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)Cc1ccc(cc1)[N+](=O)[O-]

EC Number:

217-330-8

Properties

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.233g/mol

Monoisotopic Mass:

258.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Bis(1,2,3,4-tetra-hydro-quinolin-6-yl)methane.	Acta crystallographica. Section E, Structure reports online 20080901
Photoprocesses of molecules with 2-nitrobenzyl protecting groups and caged organic acids.	Photochemistry and photobiology 20080101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501