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Home > Aldehydes > 1190318-57-0
1190318-57-0 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 7-bromo-
CAS No: 1190318-57-0 Catalog No: AG000HSH MDL No:
Product Description
Catalog Number:
AG000HSH
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 7-bromo-
CAS Number:
1190318-57-0
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-6-1-2-10-7-5(4-12)3-11-8(6)7/h1-4,11H
InChI Key:
BNYSDPYZNHPBJU-UHFFFAOYSA-N
SMILES:
Brc1ccnc2c1[nH]cc2C=O
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:
1.2
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