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525593-33-3 | 3-Bromo-5-nitroindole
CAS No: 525593-33-3 Catalog No: AG003J3A MDL No:MFCD11110951
Product Description
Catalog Number:
AG003J3A
Chemical Name:
3-Bromo-5-nitroindole
CAS Number:
525593-33-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD11110951
IUPAC Name:
3-bromo-5-nitro-1H-indole
InChI:
InChI=1S/C8H5BrN2O2/c9-7-4-10-8-2-1-5(11(12)13)3-6(7)8/h1-4,10H
InChI Key:
LBTWTOYAMQQAKO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(Br)c[nH]c2cc1
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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