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Home > Bromides > 1260387-10-7
1260387-10-7 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-bromo-
CAS No: 1260387-10-7 Catalog No: AG000QTB MDL No:MFCD18380886
Product Description
Catalog Number:
AG000QTB
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-bromo-
CAS Number:
1260387-10-7
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD18380886
IUPAC Name:
6-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-7-2-1-6-5(3-10)4-11-8(6)12-7/h1-2,4H,(H,11,12)
InChI Key:
SYXDIMKZYBSJLS-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1ccc(n2)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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