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182287-63-4 | Benzonitrile, 4-(bromomethyl)-3-iodo-
CAS No: 182287-63-4 Catalog No: AG0023KJ MDL No:MFCD16872046
Product Description
Catalog Number:
AG0023KJ
Chemical Name:
Benzonitrile, 4-(bromomethyl)-3-iodo-
CAS Number:
182287-63-4
Molecular Formula:
C8H5BrIN
Molecular Weight:
321.9405
MDL Number:
MFCD16872046
IUPAC Name:
4-(bromomethyl)-3-iodobenzonitrile
InChI:
InChI=1S/C8H5BrIN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key:
WTPXWARAYTYZIY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)I)CBr
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:
2.8
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