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180624-08-2 | Benzenamine, 4-bromo-2-iodo-6-nitro-
CAS No: 180624-08-2 Catalog No: AG00226E MDL No:MFCD11110560
Product Description
Catalog Number:
AG00226E
Chemical Name:
Benzenamine, 4-bromo-2-iodo-6-nitro-
CAS Number:
180624-08-2
Molecular Formula:
C6H4BrIN2O2
Molecular Weight:
342.9166
MDL Number:
MFCD11110560
IUPAC Name:
4-bromo-2-iodo-6-nitroaniline
InChI:
InChI=1S/C6H4BrIN2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChI Key:
CUVSESOKQSEEHQ-UHFFFAOYSA-N
SMILES:
Brc1cc(I)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.85g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.918g/mol
Monoisotopic Mass:
341.85g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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