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1414958-43-2

1414958-43-2 | Methanone, (3-bromo-1H-pyrazolo[4,3-b]pyridin-1-yl)[2-chloro-6-(trifluoromethyl)phenyl]-

CAS No: 1414958-43-2 Catalog No: AG001GH6 MDL No:MFCD1151897

Product Description

Catalog Number:
AG001GH6
Chemical Name:
Methanone, (3-bromo-1H-pyrazolo[4,3-b]pyridin-1-yl)[2-chloro-6-(trifluoromethyl)phenyl]-
CAS Number:
1414958-43-2
Molecular Formula:
C14H6BrClF3N3O
Molecular Weight:
404.5691
MDL Number:
MFCD1151897
IUPAC Name:
(3-bromopyrazolo[4,3-b]pyridin-1-yl)-[2-chloro-6-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C14H6BrClF3N3O/c15-12-11-9(5-2-6-20-11)22(21-12)13(23)10-7(14(17,18)19)3-1-4-8(10)16/h1-6H
InChI Key:
BVRBWNLAWQISAH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C(=O)n1nc(c2c1cccn2)Br)C(F)(F)F

Properties

Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.933g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.571g/mol
Monoisotopic Mass:
402.933g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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