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1000340-54-4 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-bromo-
CAS No: 1000340-54-4 Catalog No: AG0000EU MDL No:
Product Description
Catalog Number:
AG0000EU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 3-bromo-
CAS Number:
1000340-54-4
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
IUPAC Name:
3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-6-4-12-8-7(6)5(3-10)1-2-11-8/h1-2,4H,(H,11,12)
InChI Key:
FPRVLASCPHZFRN-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1c(Br)c[nH]2
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:
1.7
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