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Home > Nitro Compounds > 827319-19-7
827319-19-7 | Benzene,1-ethynyl-2,3,5,6-tetramethyl-4-nitro-
CAS No: 827319-19-7 Catalog No: AG0058J3 MDL No:
Product Description
Catalog Number:
AG0058J3
Chemical Name:
Benzene,1-ethynyl-2,3,5,6-tetramethyl-4-nitro-
CAS Number:
827319-19-7
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-ethynyl-2,3,5,6-tetramethyl-4-nitrobenzene
InChI:
InChI=1S/C12H13NO2/c1-6-11-7(2)9(4)12(13(14)15)10(5)8(11)3/h1H,2-5H3
InChI Key:
DWNJODSRAWDQGD-UHFFFAOYSA-N
SMILES:
C#Cc1c(C)c(C)c(c(c1C)C)[N+](=O)[O-]
Properties
Complexity:
283
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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