200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1017036-63-3
1017036-63-3 | Benzenepropanenitrile, 4-(difluoromethoxy)-β-oxo-
CAS No: 1017036-63-3 Catalog No: AG00058O MDL No:MFCD09936058
Product Description
Catalog Number:
AG00058O
Chemical Name:
Benzenepropanenitrile, 4-(difluoromethoxy)-β-oxo-
CAS Number:
1017036-63-3
Molecular Formula:
C10H7F2NO2
Molecular Weight:
211.1649
MDL Number:
MFCD09936058
IUPAC Name:
3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
InChI:
InChI=1S/C10H7F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9(14)5-6-13/h1-4,10H,5H2
InChI Key:
JDPFZHZAERTCDV-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C(=O)CC#N)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.168g/mol
Monoisotopic Mass:
211.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.