200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1349716-21-7
1349716-21-7 | 2,4-Dichloro-5-methoxybenzonitrile
CAS No: 1349716-21-7 Catalog No: AG01FE52 MDL No:MFCD19686198
Product Description
Catalog Number:
AG01FE52
Chemical Name:
2,4-Dichloro-5-methoxybenzonitrile
CAS Number:
1349716-21-7
Molecular Formula:
C8H5Cl2NO
Molecular Weight:
202.0374
MDL Number:
MFCD19686198
IUPAC Name:
2,4-dichloro-5-methoxybenzonitrile
InChI:
InChI=1S/C8H5Cl2NO/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-3H,1H3
InChI Key:
CSHBTMCAUOTCLB-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1Cl)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.034g/mol
Monoisotopic Mass:
200.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
© 2019 Angene International Limited. All rights Reserved.