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Home > Bromides > 1245648-93-4
1245648-93-4 | Benzonitrile, 2-bromo-6-iodo-
CAS No: 1245648-93-4 Catalog No: AG000MC8 MDL No:MFCD16619725
Product Description
Catalog Number:
AG000MC8
Chemical Name:
Benzonitrile, 2-bromo-6-iodo-
CAS Number:
1245648-93-4
Molecular Formula:
C7H3BrIN
Molecular Weight:
307.9139
MDL Number:
MFCD16619725
IUPAC Name:
2-bromo-6-iodobenzonitrile
InChI:
InChI=1S/C7H3BrIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key:
LXIBANSYVFWOAR-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.916g/mol
Monoisotopic Mass:
306.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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