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Home > Bromides > 1256482-82-2
1256482-82-2 | Benzeneacetonitrile, 2-bromo-3,6-difluoro-
CAS No: 1256482-82-2 Catalog No: AG000O8U MDL No:
Product Description
Catalog Number:
AG000O8U
Chemical Name:
Benzeneacetonitrile, 2-bromo-3,6-difluoro-
CAS Number:
1256482-82-2
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
IUPAC Name:
2-(2-bromo-3,6-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4BrF2N/c9-8-5(3-4-12)6(10)1-2-7(8)11/h1-2H,3H2
InChI Key:
VMVUSXZOFRZMBU-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1Br)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.028g/mol
Monoisotopic Mass:
230.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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