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Home > Aldehydes > 1368231-70-2
1368231-70-2 | 1H-Indole-2-carboxaldehyde, 4-bromo-
CAS No: 1368231-70-2 Catalog No: AG0012EI MDL No:MFCD22035920
Product Description
Catalog Number:
AG0012EI
Chemical Name:
1H-Indole-2-carboxaldehyde, 4-bromo-
CAS Number:
1368231-70-2
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD22035920
IUPAC Name:
4-bromo-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-5,11H
InChI Key:
QMULHCUEKZWWSC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c([nH]1)cccc2Br
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:
2.5
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