4,4'-dinitro-1,1'-biphenyl

CAT: 1299-RG-E140428-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140428-01Size:10 mg

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CAS Number

1528-74-1

Synonyms

4,4'-dinitro-1,1'-biphenyl

Molecular Formula

C12H8N2O4

Molecular Weight

244.21

Product Name Synonym

4,4'-dinitro-1,1'-biphenyl

Chemical Information

4,4'-Dinitro-1,1'-biphenyl

structure

CAS Number	1528-74-1
PubChem CID	15216
IUPAC Name	1-nitro-4-(4-nitrophenyl)benzene
Molecular Formula	C12H8N2O4
Molecular Weight	244.20
XLogP	3.6
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	275

SMILES

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

InChI

InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H

InChIKey

BDLNCFCZHNKBGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1528-74-1

CID: 15216

Formula: C12H8N2O4

MW: 244.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.20
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	244.04840674
Monoisotopic Mass	244.04840674
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	275
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
RG-B091603-01	[1,1'-Biphenyl]-4,4'-Diol
RG-D090324-01	4,4'-Dichloro-1,1'-Biphenyl
RG-A263248-01	4-Benzyl-1,1'-Biphenyl
RG-E242683-01	4- (chloromethyl) -1,1'-biphenyl
RG-A261093-01	4,4'-Bis (Dibromomethyl) -1,1'-Biphenyl
RG-A261092-01	4- (Bromomethyl) -4'-Methyl-1,1'-Biphenyl
RG-E140502-01	4′- (trans-4-Pentylcyclohexyl) [1,1′-biphenyl]-4-amine
RG-A260301-01	4,4'-Bis (2,2-Diphenylvinyl) -1,1'-Biphenyl
RG-A262732-01	2,2'-Dichloro-[1,1'-Biphenyl]-4,4'-Diamine
RG-A263249-01	4- (Chloro (Phenyl) Methyl) -1,1'-Biphenyl

Catalog	Name
OR1011288-01	4,4’-Dinitro-1,1’-Biphenyl
OR1026794-01	4,4'-Dinitro-[1,1'-Biphenyl]-2-Amine
JH920356	1,1'-Biphenyl, 2,2'-dimethyl-4,4'-dinitro-
OR79445-01	4,4'-Dibromo-2,2'-dinitro-1,1'-biphenyl
OR90122-01	3,3'-Dinitro-[1,1'-biphenyl]-4,4'-diamine
OR1012926-01	Dimethyl 4,4-Dinitro-[1,1-Biphenyl]-2,2-Dicarboxylate
OR1064883-01	N- (4,4'-Dinitro-[1,1'-biphenyl]-2-yl) benzamide
OR95804	4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid
160857	3',5-Dimethoxy-2,4'-dinitro-1,1'-biphenyl
OR1029249-01	4,4''-Dinitro-1,1':4',1''-Terphenyl