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Home > Aldehydes > 1190317-82-8
1190317-82-8 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 5-bromo-
CAS No: 1190317-82-8 Catalog No: AG000HS7 MDL No:MFCD12962975
Product Description
Catalog Number:
AG000HS7
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 5-bromo-
CAS Number:
1190317-82-8
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD12962975
IUPAC Name:
5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-7-2-1-6-8(11-7)5(4-12)3-10-6/h1-4,10H
InChI Key:
PUIOZFSCPRTSQS-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1nc(Br)cc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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