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1379356-55-4 | 3-(3-Bromo-5,6-difluoro-phenoxy)propanenitrile
CAS No: 1379356-55-4 Catalog No: AG01FA35 MDL No:
Product Description
Catalog Number:
AG01FA35
Chemical Name:
3-(3-Bromo-5,6-difluoro-phenoxy)propanenitrile
CAS Number:
1379356-55-4
Molecular Formula:
C9H6BrF2NO
Molecular Weight:
262.0508
IUPAC Name:
3-(5-bromo-2,3-difluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H6BrF2NO/c10-6-4-7(11)9(12)8(5-6)14-3-1-2-13/h4-5H,1,3H2
InChI Key:
YMNFHFNYOSBFGR-UHFFFAOYSA-N
SMILES:
N#CCCOc1cc(Br)cc(c1F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.054g/mol
Monoisotopic Mass:
260.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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