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89346-29-2 | 1H-Indole, 5-bromo-3-(2-methyl-3-nitrophenyl)-
CAS No: 89346-29-2 Catalog No: AG003ZCZ MDL No:
Product Description
Catalog Number:
AG003ZCZ
Chemical Name:
1H-Indole, 5-bromo-3-(2-methyl-3-nitrophenyl)-
CAS Number:
89346-29-2
Molecular Formula:
C15H11BrN2O2
Molecular Weight:
331.1640
IUPAC Name:
5-bromo-3-(2-methyl-3-nitrophenyl)-1H-indole
InChI:
InChI=1S/C15H11BrN2O2/c1-9-11(3-2-4-15(9)18(19)20)13-8-17-14-6-5-10(16)7-12(13)14/h2-8,17H,1H3
InChI Key:
MIVVMVRBIPCZPH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)c1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.169g/mol
Monoisotopic Mass:
330g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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