200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1378336-28-7
1378336-28-7 | 3-(3-Chloro-2-fluoro-phenoxy)propanenitrile
CAS No: 1378336-28-7 Catalog No: AG01FAY5 MDL No:
Product Description
Catalog Number:
AG01FAY5
Chemical Name:
3-(3-Chloro-2-fluoro-phenoxy)propanenitrile
CAS Number:
1378336-28-7
Molecular Formula:
C9H7ClFNO
Molecular Weight:
199.6094
IUPAC Name:
3-(3-chloro-2-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7ClFNO/c10-7-3-1-4-8(9(7)11)13-6-2-5-12/h1,3-4H,2,6H2
InChI Key:
KXEJJHMKDPQDEA-UHFFFAOYSA-N
SMILES:
Fc1c(OCCC#N)cccc1Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.609g/mol
Monoisotopic Mass:
199.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
© 2019 Angene International Limited. All rights Reserved.