200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 921771-96-2
921771-96-2 | Benzene, 1-methoxy-4-[(1S,2S)-2-nitro-1-(nitromethyl)butyl]-
CAS No: 921771-96-2 Catalog No: AG006GKG MDL No:
Product Description
Catalog Number:
AG006GKG
Chemical Name:
Benzene, 1-methoxy-4-[(1S,2S)-2-nitro-1-(nitromethyl)butyl]-
CAS Number:
921771-96-2
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
1-[(2S,3S)-1,3-dinitropentan-2-yl]-4-methoxybenzene
InChI:
InChI=1S/C12H16N2O5/c1-3-12(14(17)18)11(8-13(15)16)9-4-6-10(19-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3/t11-,12+/m1/s1
InChI Key:
OCKWEVRMBGKWJE-NEPJUHHUSA-N
SMILES:
COc1ccc(cc1)[C@H]([C@@H]([N+](=O)[O-])CC)C[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.