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Home > Nitro Compounds > 302346-44-7
302346-44-7 | Benzene, 1,2-diethynyl-4-nitro-
CAS No: 302346-44-7 Catalog No: AG002ZBY MDL No:
Product Description
Catalog Number:
AG002ZBY
Chemical Name:
Benzene, 1,2-diethynyl-4-nitro-
CAS Number:
302346-44-7
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
IUPAC Name:
1,2-diethynyl-4-nitrobenzene
InChI:
InChI=1S/C10H5NO2/c1-3-8-5-6-10(11(12)13)7-9(8)4-2/h1-2,5-7H
InChI Key:
QPXPYIVDFFUGPG-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1C#C)[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.155g/mol
Monoisotopic Mass:
171.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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