Home Halogens 2-Amino-5-bromo-3-iodobenzonitrile

2-Amino-5-bromo-3-iodobenzonitrile

CAS No.:
1000577-44-5
Catalog Number:
AG01FE12
Molecular Formula:
C7H4BrIN2
Molecular Weight:
322.9285
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Product Description
Catalog Number:
AG01FE12
Chemical Name:
2-Amino-5-bromo-3-iodobenzonitrile
CAS Number:
1000577-44-5
Molecular Formula:
C7H4BrIN2
Molecular Weight:
322.9285
MDL Number:
MFCD09800801
IUPAC Name:
2-amino-5-bromo-3-iodobenzonitrile
InChI:
InChI=1S/C7H4BrIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:
WAAPUHOUXZSDPT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1N)I
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.86g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.931g/mol
Monoisotopic Mass:
321.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties