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183208-57-3

183208-57-3 | 1H-Pyrrolo[2,3-b]pyridine-3-ethanaMine, 5-broMo-

CAS No: 183208-57-3 Catalog No: AG0027EI MDL No:

Product Description

Catalog Number:
AG0027EI
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-ethanaMine, 5-broMo-
CAS Number:
183208-57-3
Molecular Formula:
C9H10BrN3
Molecular Weight:
240.0998
IUPAC Name:
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
InChI:
InChI=1S/C9H10BrN3/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7/h3-5H,1-2,11H2,(H,12,13)
InChI Key:
CMFBJWDJQFQFRD-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cc(Br)cn2

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.104g/mol
Monoisotopic Mass:
239.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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