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1260386-47-7

1260386-47-7 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-bromo-

CAS No: 1260386-47-7 Catalog No: AG000QTI MDL No:MFCD18380938

Product Description

Catalog Number:
AG000QTI
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-bromo-
CAS Number:
1260386-47-7
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD18380938
IUPAC Name:
6-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-4-1-6-5(10-3-4)2-7(11-6)8(12)13/h1-3,11H,(H,12,13)
InChI Key:
GKHOPLYHOTXJGA-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)[nH]c(c2)C(=O)O

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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