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Home > Bromides > 1190319-58-4
1190319-58-4 | 1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 3-bromo-
CAS No: 1190319-58-4 Catalog No: AG000HVO MDL No:MFCD12963493
Product Description
Catalog Number:
AG000HVO
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile, 3-bromo-
CAS Number:
1190319-58-4
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD12963493
IUPAC Name:
3-bromo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-6-4-11-7-2-1-5(3-10)12-8(6)7/h1-2,4,11H
InChI Key:
ZKEAKBSDOMBNBR-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c2c1nc(cc2)C#N
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:
1.8
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