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1204297-37-9,MFCD16631861
Catalog No.:AA01AQHV
1204297-37-9 | 7-Chloro-4-methyl-1-phenyl-1h-pyrazolo[3,4-d]pyridazine
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  • Technical Information
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Technical Information
Catalog Number:
AA01AQHV
Chemical Name:
7-Chloro-4-methyl-1-phenyl-1h-pyrazolo[3,4-d]pyridazine
CAS Number:
1204297-37-9
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
MDL Number:
MFCD16631861
IUPAC Name:
7-chloro-4-methyl-1-phenylpyrazolo[3,4-d]pyridazine
InChI:
InChI=1S/C12H9ClN4/c1-8-10-7-14-17(9-5-3-2-4-6-9)11(10)12(13)16-15-8/h2-7H,1H3
InChI Key:
RRUMUCVWQIBJNG-UHFFFAOYSA-N
SMILES:
Clc1nnc(c2c1n(nc2)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
7-chloro-4-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine 
1204297-37-9 
7-chloro-4-methyl-1-phenylpyrazolo[3,4-d]pyridazine 
ZINC36657707 
AKOS015957427 
MCULE-6644046569 
L-4276 
F2161-0052 
Literature
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