Home Halogens 1H-Indole, 4-bromo-6-nitro-

1H-Indole, 4-bromo-6-nitro-

CAS No.:
885520-47-8
Catalog Number:
AG00IF6N
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
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Product Description
Catalog Number:
AG00IF6N
Chemical Name:
1H-Indole, 4-bromo-6-nitro-
CAS Number:
885520-47-8
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD07781452
IUPAC Name:
4-bromo-6-nitro-1H-indole
InChI:
InChI=1S/C8H5BrN2O2/c9-7-3-5(11(12)13)4-8-6(7)1-2-10-8/h1-4,10H
InChI Key:
BVXHHQBPXSUJPE-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(Br)c2c(c1)[nH]cc2
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties