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Home > Aldehydes > 1246471-79-3
1246471-79-3 | 1H-Indole-3-carboxaldehyde, 2-bromo-5-nitro-
CAS No: 1246471-79-3 Catalog No: AG000MII MDL No:MFCD22570490
Product Description
Catalog Number:
AG000MII
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-bromo-5-nitro-
CAS Number:
1246471-79-3
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
MDL Number:
MFCD22570490
IUPAC Name:
2-bromo-5-nitro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrN2O3/c10-9-7(4-13)6-3-5(12(14)15)1-2-8(6)11-9/h1-4,11H
InChI Key:
SOFYKVNGTHUQOO-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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