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1000340-43-1

1000340-43-1 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-nitro-

CAS No: 1000340-43-1 Catalog No: AG0000DR MDL No:

Product Description

Catalog Number:
AG0000DR
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-nitro-
CAS Number:
1000340-43-1
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
4-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5N3O3/c12-4-5-3-10-8-7(5)6(11(13)14)1-2-9-8/h1-4H,(H,9,10)
InChI Key:
QHIWEPWOESELKM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccn2)[N+](=O)[O-]

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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