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825631-67-2 | Acetamide, N-(4-bromo-2-iodo-5-nitrophenyl)-
CAS No: 825631-67-2 Catalog No: AG004YJ9 MDL No:
Product Description
Catalog Number:
AG004YJ9
Chemical Name:
Acetamide, N-(4-bromo-2-iodo-5-nitrophenyl)-
CAS Number:
825631-67-2
Molecular Formula:
C8H6BrIN2O3
Molecular Weight:
384.9533
IUPAC Name:
N-(4-bromo-2-iodo-5-nitrophenyl)acetamide
InChI:
InChI=1S/C8H6BrIN2O3/c1-4(13)11-7-3-8(12(14)15)5(9)2-6(7)10/h2-3H,1H3,(H,11,13)
InChI Key:
UXWLGPUWVXLETC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc([N+](=O)[O-])c(cc1I)Br
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.861g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.955g/mol
Monoisotopic Mass:
383.861g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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