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Home > Bromides > 1379304-08-1
1379304-08-1 | 3-(3-Bromo-5-fluoro-phenoxy)propanenitrile
CAS No: 1379304-08-1 Catalog No: AG01FB9M MDL No:
Product Description
Catalog Number:
AG01FB9M
Chemical Name:
3-(3-Bromo-5-fluoro-phenoxy)propanenitrile
CAS Number:
1379304-08-1
Molecular Formula:
C9H7BrFNO
Molecular Weight:
244.0604
IUPAC Name:
3-(3-bromo-5-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7BrFNO/c10-7-4-8(11)6-9(5-7)13-3-1-2-12/h4-6H,1,3H2
InChI Key:
VAGXSHIHJXEHQA-UHFFFAOYSA-N
SMILES:
N#CCCOc1cc(F)cc(c1)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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