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113423-47-5

113423-47-5 | 2H-Indol-2-one, 3,3-dibromo-1,3-dihydro-5-nitro-

CAS No: 113423-47-5 Catalog No: AG0008JG MDL No:

Product Description

Catalog Number:
AG0008JG
Chemical Name:
2H-Indol-2-one, 3,3-dibromo-1,3-dihydro-5-nitro-
CAS Number:
113423-47-5
Molecular Formula:
C8H4Br2N2O3
Molecular Weight:
335.9370
IUPAC Name:
3,3-dibromo-4-nitro-1H-indol-2-one
InChI:
InChI=1S/C8H4Br2N2O3/c9-8(10)6-4(11-7(8)13)2-1-3-5(6)12(14)15/h1-3H,(H,11,13)
InChI Key:
QEJAAGICYWWRKH-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(Br)Br)cc(cc2)[N+](=O)[O-]

Properties

Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.857g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.939g/mol
Monoisotopic Mass:
333.859g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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