2,3'-dinitro-1,1'-biphenyl

CAT: 0127-OR24632Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

7391-72-2

MDL Number

MFCD00185567

Smiles

[O-][N+] (=O) c1cccc (c1) c2ccccc2[N+] (=O) [O-]

Chemical Information

1,1'-Biphenyl, 2,3'-dinitro-

CAS Number	7391-72-2
PubChem CID	81875
IUPAC Name	1-nitro-2-(3-nitrophenyl)benzene
Molecular Formula	C12H8N2O4
Molecular Weight	244.20
XLogP	3.4
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	323

SMILES

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

InChI

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

InChIKey

FMHCZXFBIPODBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7391-72-2

CID: 81875

Formula: C12H8N2O4

MW: 244.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.20
XLogP3	3.4
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	323
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
OR1058353-01	3,3'-Dinitro-1,1'-biphenyl
OR80391-01	2,2'-Dinitro-1,1'-biphenyl
OR1065749-01	3,5-Dinitro-1,1'-biphenyl
OR1011288-01	4,4’-Dinitro-1,1’-Biphenyl
OR1026794-01	4,4'-Dinitro-[1,1'-Biphenyl]-2-Amine
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
OR95804	4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid
OR1064883-01	N- (4,4'-Dinitro-[1,1'-biphenyl]-2-yl) benzamide

Catalog	Name
160857	3',5-Dimethoxy-2,4'-dinitro-1,1'-biphenyl
RG-E140428-01	4,4'-dinitro-1,1'-biphenyl
159830	2,2'-Dimethoxy-5,5'-dinitro-1,1'-biphenyl
JH920356	1,1'-Biphenyl, 2,2'-dimethyl-4,4'-dinitro-
FD67162-01	3,5-Dinitro-1,2-phenylenediamine
AR-M04007-01	2,4-Dinitro-1,3-Dimethylbenzene
TRC-D670520-1G	3,5-Dinitro-1,2-benzenediol 1-Acetate
433609-01	4,4'-Dinitro-3,3'-bis (trifluoromethyl) biphenyl
426843-01	3,3'-Dinitro-5,5'-bis (trifluoromethyl) biphenyl
sc-335852	3,4-Dinitro-1,2-benzenedicarboxylic acid