4,4''-Dinitro-p-terphenyl

CAT: 0024-sc-267792Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267792Size:5 g

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CAS Number

3282-11-9

Chemical Information

p-Terphenyl, 4,4''-dinitro-

CAS Number	3282-11-9
PubChem CID	101423
IUPAC Name	1,4-bis(4-nitrophenyl)benzene
Molecular Formula	C18H12N2O4
Molecular Weight	320.3
XLogP	4.8
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	393

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H

InChIKey

MHOAYDHUNGLDTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3282-11-9

CID: 101423

Formula: C18H12N2O4

MW: 320.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.3
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	320.07970687
Monoisotopic Mass	320.07970687
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	393
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-482455	4-Bromo-p-terphenyl
sc-486027	4,4''-Diiodo-p-terphenyl
sc-487631	4-Nitro-p-terphenyl
sc-233055	4,4''-Dibromo-p-terphenyl
sc-470252	4-Amino-p-terphenyl
sc-267791	4,4''-Diamino-p-terphenyl
sc-236273	P-Terphenyl-4,4''-dithiol
sc-228890B	P-Terphenyl-4,4''-dicarboxylic acid
sc-228890A	P-Terphenyl-4,4''-dicarboxylic acid
sc-228890C	P-Terphenyl-4,4''-dicarboxylic acid

Catalog	Name
OR1029249-01	4,4''-Dinitro-1,1':4',1''-Terphenyl
OR55119-01	4,4''-Diiodo-p-terphenyl
FD62326-01	4,4''-Dibromo-p-terphenyl
TRC-T116700-100MG	[p-Terphenyl]-4,4''-dicarboxylic Acid
OR1043782-01	4-Cyano-4€-nonyl-p-terphenyl
OR92803-01	4,4''-Dinitro-5'- (4-nitrophenyl) -1,1':3',1''-terphenyl
OR1055633-01	4',6'-Dinitro-1,1':3',1''-terphenyl
OR1039062-01	P-Terphenyl-4-carboxylic acid
165805-01	P-Terphenyl
OR1080084-01	2,4-dinitro-N- (p-tolyl) aniline