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1261517-16-1 | Benzeneacetonitrile, 2-bromo-5-iodo-
CAS No: 1261517-16-1 Catalog No: AG000RTC MDL No:
Product Description
Catalog Number:
AG000RTC
Chemical Name:
Benzeneacetonitrile, 2-bromo-5-iodo-
CAS Number:
1261517-16-1
Molecular Formula:
C8H5BrIN
Molecular Weight:
321.9405
IUPAC Name:
2-(2-bromo-5-iodophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrIN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
InChI Key:
AQDIWSKWPCISPD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1CC#N)I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.865g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.943g/mol
Monoisotopic Mass:
320.865g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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