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Home > Nitro Compounds > 937-31-5
937-31-5 | 4-NITROPHENYLACETYLENE
CAS No: 937-31-5 Catalog No: AG00GROS MDL No:MFCD00024794
Product Description
Catalog Number:
AG00GROS
Chemical Name:
4-NITROPHENYLACETYLENE
CAS Number:
937-31-5
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD00024794
IUPAC Name:
1-ethynyl-4-nitrobenzene
InChI:
InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H
InChI Key:
GAZZTEJDUGESGQ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
71089
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Coordination networks constructed with the multinuclear silver-ethynide supramolecular synthon 4-nitrophenyl-C[triple bond]C subset Ag(n) (n = 3, 4, 5). | Dalton transactions (Cambridge, England : 2003) 20100227 |
| Electronic modulation of hyperpolarizable (porphinato)zinc(II) chromophores featuring ethynylphenyl-, ethynylthiophenyl-, ethynylthiazolyl-, and ethynylbenzothiazolyl-based electron-donating and -accepting moieties. | Inorganic chemistry 20061127 |
| Synthesis, photophysics, and optical limiting of platinum(II) 4'-tolylterpyridyl arylacetylide complexes. | Inorganic chemistry 20050530 |
| Luminescent Ag i-Cu i heterometallic hexa-, octa-, and hexadecanuclear alkynyl complexes. | Inorganic chemistry 20040531 |
| Hexasubstituted donor-acceptor benzenes as nonlinear optically active molecules with multiple charge-transfer transitions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040305 |
| Polymorphic forms of a gold(I) arylacetylide complex with contrasting phosphorescent characteristics. | Journal of the American Chemical Society 20031224 |
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