200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 13120-77-9
13120-77-9 | Benzene, 2-methoxy-1-methyl-4-nitro-
CAS No: 13120-77-9 Catalog No: AG000VPJ MDL No:MFCD00043912
Product Description
Catalog Number:
AG000VPJ
Chemical Name:
Benzene, 2-methoxy-1-methyl-4-nitro-
CAS Number:
13120-77-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00043912
IUPAC Name:
2-methoxy-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3
InChI Key:
WVQGZNRUEVFXKR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)[N+](=O)[O-]
EC Number:
236-048-6
NSC Number:
25213
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.