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1000577-40-1 | 5-Bromo-3-chloro-2-iodobenzonitrile
CAS No: 1000577-40-1 Catalog No: AG01FDOJ MDL No:MFCD09800800
Product Description
Catalog Number:
AG01FDOJ
Chemical Name:
5-Bromo-3-chloro-2-iodobenzonitrile
CAS Number:
1000577-40-1
Molecular Formula:
C7H2BrClIN
Molecular Weight:
342.3589
MDL Number:
MFCD09800800
IUPAC Name:
5-bromo-3-chloro-2-iodobenzonitrile
InChI:
InChI=1S/C7H2BrClIN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChI Key:
IBXCHLAUBNJQHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1I)Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.81g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.358g/mol
Monoisotopic Mass:
340.81g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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