Home Other Building Blocks (4-fluorophenyl)(4H-1,2,4-triazol-3-yl)methanol

(4-fluorophenyl)(4H-1,2,4-triazol-3-yl)methanol

CAS No.:
1513978-53-4
Catalog Number:
AG01AC1B
Molecular Formula:
C9H8FN3O
Molecular Weight:
193.1777
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Product Description
Catalog Number:
AG01AC1B
Chemical Name:
(4-fluorophenyl)(4H-1,2,4-triazol-3-yl)methanol
CAS Number:
1513978-53-4
Molecular Formula:
C9H8FN3O
Molecular Weight:
193.1777
MDL Number:
MFCD21194729
IUPAC Name:
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanol
InChI:
InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)8(14)9-11-5-12-13-9/h1-5,8,14H,(H,11,12,13)
InChI Key:
USEUONMKIQTRMC-UHFFFAOYSA-N
SMILES:
OC(c1[nH]cnn1)c1ccc(cc1)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.181g/mol
Monoisotopic Mass:
193.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties