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1192155-05-7

1192155-05-7 | 3-Pyridazinecarboxylic acid, 6-(trifluoromethyl)-

CAS No: 1192155-05-7 Catalog No: AG000IEK MDL No:MFCD23382367

Product Description

Catalog Number:
AG000IEK
Chemical Name:
3-Pyridazinecarboxylic acid, 6-(trifluoromethyl)-
CAS Number:
1192155-05-7
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD23382367
IUPAC Name:
6-(trifluoromethyl)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-1-3(5(12)13)10-11-4/h1-2H,(H,12,13)
InChI Key:
NJVZTXHNKXUAMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nn1)C(F)(F)F

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.097g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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