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Home > Bromides > 1379304-00-3
1379304-00-3 | 2-(3-Bromo-5,6-difluoro-phenoxy)acetonitrile
CAS No: 1379304-00-3 Catalog No: AG01FANJ MDL No:
Product Description
Catalog Number:
AG01FANJ
Chemical Name:
2-(3-Bromo-5,6-difluoro-phenoxy)acetonitrile
CAS Number:
1379304-00-3
Molecular Formula:
C8H4BrF2NO
Molecular Weight:
248.0243
IUPAC Name:
2-(5-bromo-2,3-difluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H4BrF2NO/c9-5-3-6(10)8(11)7(4-5)13-2-1-12/h3-4H,2H2
InChI Key:
PGXQBGIOFQSJOV-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(Br)cc(c1F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.944g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.027g/mol
Monoisotopic Mass:
246.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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