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Home > Nitro Compounds > 229022-43-9
229022-43-9 | Benzene, 1-(1-hexyn-1-yl)-4-nitro-
CAS No: 229022-43-9 Catalog No: AG002LEW MDL No:
Product Description
Catalog Number:
AG002LEW
Chemical Name:
Benzene, 1-(1-hexyn-1-yl)-4-nitro-
CAS Number:
229022-43-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-hex-1-ynyl-4-nitrobenzene
InChI:
InChI=1S/C12H13NO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-4H2,1H3
InChI Key:
BILXKRUVEDBOQQ-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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