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81933-75-7

81933-75-7 | 3-chloro-7-methyl-9-phenyl-2,8,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene-4-carbaldehyde

CAS No: 81933-75-7 Catalog No: AG008L5A MDL No:MFCD02707774

Product Description

Catalog Number:
AG008L5A
Chemical Name:
3-chloro-7-methyl-9-phenyl-2,8,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene-4-carbaldehyde
CAS Number:
81933-75-7
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
MDL Number:
MFCD02707774
IUPAC Name:
6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C14H10ClN3O/c1-9-12-7-10(8-19)13(15)16-14(12)18(17-9)11-5-3-2-4-6-11/h2-8H,1H3
InChI Key:
ZXJOVEJZHAMUGN-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(C)nn(c2nc1Cl)c1ccccc1

Properties

Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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