200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 827319-18-6
827319-18-6 | Benzene, 1-ethynyl-2,4,5-trimethyl-3-nitro-
CAS No: 827319-18-6 Catalog No: AG004UXI MDL No:
Product Description
Catalog Number:
AG004UXI
Chemical Name:
Benzene, 1-ethynyl-2,4,5-trimethyl-3-nitro-
CAS Number:
827319-18-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-ethynyl-2,4,5-trimethyl-3-nitrobenzene
InChI:
InChI=1S/C11H11NO2/c1-5-10-6-7(2)8(3)11(9(10)4)12(13)14/h1,6H,2-4H3
InChI Key:
ZVHOVDGREODXPL-UHFFFAOYSA-N
SMILES:
C#Cc1cc(C)c(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.