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1000577-52-5 | 2-Amino-3-bromo-5-iodobenzonitrile
CAS No: 1000577-52-5 Catalog No: AG01FE13 MDL No:MFCD09800803
Product Description
Catalog Number:
AG01FE13
Chemical Name:
2-Amino-3-bromo-5-iodobenzonitrile
CAS Number:
1000577-52-5
Molecular Formula:
C7H4BrIN2
Molecular Weight:
322.9285
MDL Number:
MFCD09800803
IUPAC Name:
2-amino-3-bromo-5-iodobenzonitrile
InChI:
InChI=1S/C7H4BrIN2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2H,11H2
InChI Key:
AYRJXZYYZBVKFU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)cc(c1N)Br
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
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