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Home > Bromides > 1379370-23-6
1379370-23-6 | 3-(2-Bromo-5-fluoro-phenoxy)propanenitrile
CAS No: 1379370-23-6 Catalog No: AG01FBA8 MDL No:
Product Description
Catalog Number:
AG01FBA8
Chemical Name:
3-(2-Bromo-5-fluoro-phenoxy)propanenitrile
CAS Number:
1379370-23-6
Molecular Formula:
C9H7BrFNO
Molecular Weight:
244.0604
IUPAC Name:
3-(2-bromo-5-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7BrFNO/c10-8-3-2-7(11)6-9(8)13-5-1-4-12/h2-3,6H,1,5H2
InChI Key:
JPUZSTPXHYMONB-UHFFFAOYSA-N
SMILES:
Fc1cc(OCCC#N)c(cc1)Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.063g/mol
Monoisotopic Mass:
242.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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