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Home > Nitro Compounds > 180056-60-4
180056-60-4 | 1,1'-Biphenyl, 4-ethynyl-4'-nitro-
CAS No: 180056-60-4 Catalog No: AG0021NS MDL No:
Product Description
Catalog Number:
AG0021NS
Chemical Name:
1,1'-Biphenyl, 4-ethynyl-4'-nitro-
CAS Number:
180056-60-4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
1-ethynyl-4-(4-nitrophenyl)benzene
InChI:
InChI=1S/C14H9NO2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h1,3-10H
InChI Key:
MWABQZBKHRECMI-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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