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1000341-87-6 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-bromo-
CAS No: 1000341-87-6 Catalog No: AG0000I5 MDL No:
Product Description
Catalog Number:
AG0000I5
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 4-bromo-
CAS Number:
1000341-87-6
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
4-bromo-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-8-7-5(4-12)3-11-6(7)1-2-10-8/h1-4,11H
InChI Key:
UXLMDNWNUXGADZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Br)ncc2
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:
1.5
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