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Home > Bromides > 1190314-89-6
1190314-89-6 | 1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-bromo-6-chloro-
CAS No: 1190314-89-6 Catalog No: AG000HN5 MDL No:
Product Description
Catalog Number:
AG000HN5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-bromo-6-chloro-
CAS Number:
1190314-89-6
Molecular Formula:
C7H4BrClN2O
Molecular Weight:
247.4765
IUPAC Name:
3-bromo-6-chloro-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
InChI:
InChI=1S/C7H4BrClN2O/c8-3-2-10-7-6(3)4(12)1-5(9)11-7/h1-2H,(H2,10,11,12)
InChI Key:
XXQFGBXRANZMFS-UHFFFAOYSA-N
SMILES:
Clc1cc(O)c2c(n1)[nH]cc2Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.476g/mol
Monoisotopic Mass:
245.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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