1-nitro-4- (phenylethynyl) benzene

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CAS Number

1942-30-9

Smiles

C (#Cc1ccccc1) c1ccc (cc1) [N+] (=O) [O-]

Chemical Information

1-Nitro-4-phenylethynyl-benzene

CAS Number	1942-30-9
PubChem CID	3560757
IUPAC Name	1-nitro-4-(2-phenylethynyl)benzene
Molecular Formula	C14H9NO2
Molecular Weight	223.23
XLogP	4.2
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	319

SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H

InChIKey

JWCIMYGAABSRQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1942-30-9

CID: 3560757

Formula: C14H9NO2

MW: 223.23

Interactive 3D Structure

Loading 3D structure...

Catalog	Name
OR1092032-01	1-nitro-2- (phenylethynyl) benzene
OR315652	1-Methyl-4- (phenylethynyl) benzene
OR1005750	1-Iodo-4- (phenylethynyl) benzene
OR1069689-01	1-Chloro-4- (phenylethynyl) benzene
OR315653-01	1-Methoxy-4- (phenylethynyl) benzene
OR315665-01	1,4-Bis (phenylethynyl) benzene
OR89985-01	1-Bromo-4- (phenylethynyl) benzene
OR91556-01	1-Ethynyl-4- (phenylethynyl) benzene
PC1021483-01	1- (2-Phenylethynyl) -4- (trifluoromethyl) benzene
PC408832	1-Nitro-4- (pentafluoroethyl) benzene

Catalog	Name
sc-486797	1-Bromo-4- (phenylethynyl) benzene
sc-264824	1-Fluoro-4-phenylethynyl-benzene
BAA84927-01	1,4-Bis (phenylethynyl) benzene
sc-264850	1-Methoxy-4-phenylethynyl-benzene
sc-255819	1-Chloro-4- (phenylethynyl) benzene
FH HF 0021-01	1-bromo-4- (2-phenylethynyl) benzene
FH HF 0024-01	1-[ethoxy-bis[4- (2-phenylethynyl) phenyl]methyl]-4- (2-phenylethynyl) benzene
21375-88-2-01	1-BROMO-2-PHENYLETHYNYL-BENZENE
sc-264783	1-Chloro-3- (2-phenylethynyl) benzene
sc-264821	1-Fluoro-3- (2-phenylethynyl) benzene