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1000339-98-9

1000339-98-9 | 1H-Indazole, 4-(trifluoromethyl)-

CAS No: 1000339-98-9 Catalog No: AG0000DB MDL No:MFCD09263211

Product Description

Catalog Number:
AG0000DB
Chemical Name:
1H-Indazole, 4-(trifluoromethyl)-
CAS Number:
1000339-98-9
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09263211
IUPAC Name:
4-(trifluoromethyl)-1H-indazole
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-3-7-5(6)4-12-13-7/h1-4H,(H,12,13)
InChI Key:
KCWIWQGNCLKDJZ-UHFFFAOYSA-N
SMILES:
FC(c1cccc2c1cn[nH]2)(F)F

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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