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1000340-98-6 | Benzeneacetonitrile, 2-amino-4-bromo-6-fluoro-
CAS No: 1000340-98-6 Catalog No: AG0000F0 MDL No:
Product Description
Catalog Number:
AG0000F0
Chemical Name:
Benzeneacetonitrile, 2-amino-4-bromo-6-fluoro-
CAS Number:
1000340-98-6
Molecular Formula:
C8H6BrFN2
Molecular Weight:
229.0490
IUPAC Name:
2-(2-amino-4-bromo-6-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H6BrFN2/c9-5-3-7(10)6(1-2-11)8(12)4-5/h3-4H,1,12H2
InChI Key:
ZBROJEWHLGVDBZ-UHFFFAOYSA-N
SMILES:
N#CCc1c(N)cc(cc1F)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.052g/mol
Monoisotopic Mass:
227.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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