200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 85653-54-9
85653-54-9 | Benzene,1-ethoxy-4-methyl-2-nitro-
CAS No: 85653-54-9 Catalog No: AG004Q6P MDL No:MFCD00036064
Product Description
Catalog Number:
AG004Q6P
Chemical Name:
Benzene,1-ethoxy-4-methyl-2-nitro-
CAS Number:
85653-54-9
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00036064
IUPAC Name:
1-ethoxy-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6H,3H2,1-2H3
InChI Key:
QCDITDRNYKTXNM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^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.