200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 875768-16-4
875768-16-4 | 1-ethynyl-4-methyl-2-nitrobenzene
CAS No: 875768-16-4 Catalog No: AG01EY27 MDL No:
Product Description
Catalog Number:
AG01EY27
Chemical Name:
1-ethynyl-4-methyl-2-nitrobenzene
CAS Number:
875768-16-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
1-ethynyl-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C9H7NO2/c1-3-8-5-4-7(2)6-9(8)10(11)12/h1,4-6H,2H3
InChI Key:
RJPKYJUAXQGVAQ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.