200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 29027-13-2
29027-13-2 | Benzene, 2-methoxy-1-methyl-3,5-dinitro-
CAS No: 29027-13-2 Catalog No: AG002V8J MDL No:MFCD00218238
Product Description
Catalog Number:
AG002V8J
Chemical Name:
Benzene, 2-methoxy-1-methyl-3,5-dinitro-
CAS Number:
29027-13-2
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD00218238
IUPAC Name:
2-methoxy-1-methyl-3,5-dinitrobenzene
InChI:
InChI=1S/C8H8N2O5/c1-5-3-6(9(11)12)4-7(10(13)14)8(5)15-2/h3-4H,1-2H3
InChI Key:
XCHBHMOBNNBYAX-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
406250
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.