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1016737-82-8 | 4-(2,4-Difluoro-phenoxy)butanenitrile
CAS No: 1016737-82-8 Catalog No: AG01FCUW MDL No:
Product Description
Catalog Number:
AG01FCUW
Chemical Name:
4-(2,4-Difluoro-phenoxy)butanenitrile
CAS Number:
1016737-82-8
Molecular Formula:
C10H9F2NO
Molecular Weight:
197.1814
IUPAC Name:
4-(2,4-difluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9F2NO/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13/h3-4,7H,1-2,6H2
InChI Key:
BPKQOSMZTGJUDV-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(cc1F)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.185g/mol
Monoisotopic Mass:
197.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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