200,000+ products from a single source!
sales@angenechem.com
136366-42-2 | Benzonitrile, 3-bromo-4-ethoxy-
CAS No: 136366-42-2 Catalog No: AG0011SN MDL No:
Product Description
Catalog Number:
AG0011SN
Chemical Name:
Benzonitrile, 3-bromo-4-ethoxy-
CAS Number:
136366-42-2
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
3-bromo-4-ethoxybenzonitrile
InChI:
InChI=1S/C9H8BrNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3
InChI Key:
POVUENZMXWGMMC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)C#N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.