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126807-08-7 | 1H-Indole, 3-bromo-4-nitro-
CAS No: 126807-08-7 Catalog No: AG000T95 MDL No:MFCD04973972
Product Description
Catalog Number:
AG000T95
Chemical Name:
1H-Indole, 3-bromo-4-nitro-
CAS Number:
126807-08-7
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD04973972
IUPAC Name:
3-bromo-4-nitro-1H-indole
InChI:
InChI=1S/C8H5BrN2O2/c9-5-4-10-6-2-1-3-7(8(5)6)11(12)13/h1-4,10H
InChI Key:
VYQRPDVMVMLVHA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(Br)c[nH]2
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
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