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Home > Aldehydes > 115666-21-2
115666-21-2 | 1H-Indole-3-carboxaldehyde, 7-bromo-
CAS No: 115666-21-2 Catalog No: AG000GQU MDL No:MFCD06657151
Product Description
Catalog Number:
AG000GQU
Chemical Name:
1H-Indole-3-carboxaldehyde, 7-bromo-
CAS Number:
115666-21-2
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD06657151
IUPAC Name:
7-bromo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChI Key:
MGPMWCBAOQWENZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cccc2Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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