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Home > Aldehydes > 111083-32-0
111083-32-0 | 6-BROMO-5-METHOXY-1,2-DIMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS No: 111083-32-0 Catalog No: AG0082WR MDL No:MFCD05864564
Product Description
Catalog Number:
AG0082WR
Chemical Name:
6-BROMO-5-METHOXY-1,2-DIMETHYL-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
111083-32-0
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD05864564
IUPAC Name:
6-bromo-5-methoxy-1,2-dimethylindole-3-carbaldehyde
InChI:
InChI=1S/C12H12BrNO2/c1-7-9(6-15)8-4-12(16-3)10(13)5-11(8)14(7)2/h4-6H,1-3H3
InChI Key:
XTMHKTBAZOISCV-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1Br)n(c(c2C=O)C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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