200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 83577-40-6
83577-40-6 | Benzene, (1-methoxy-3-methyl-3-nitrobutyl)-
CAS No: 83577-40-6 Catalog No: AG004Z9U MDL No:
Product Description
Catalog Number:
AG004Z9U
Chemical Name:
Benzene, (1-methoxy-3-methyl-3-nitrobutyl)-
CAS Number:
83577-40-6
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
(1-methoxy-3-methyl-3-nitrobutyl)benzene
InChI:
InChI=1S/C12H17NO3/c1-12(2,13(14)15)9-11(16-3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChI Key:
FLWBEMCWIHZUOO-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)CC([N+](=O)[O-])(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.