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1000340-35-1

1000340-35-1 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-

CAS No: 1000340-35-1 Catalog No: AG0000DZ MDL No:MFCD09880126

Product Description

Catalog Number:
AG0000DZ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-
CAS Number:
1000340-35-1
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD09880126
IUPAC Name:
4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
InChI Key:
GVJOYNDJFISGTG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Br)ccn2

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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