Home Other Building Blocks (5-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHANOL

(5-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHANOL

CAS No.:
1549545-05-2
Catalog Number:
AG01EMJL
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
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Product Description
Catalog Number:
AG01EMJL
Chemical Name:
(5-CYCLOPROPYL-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHANOL
CAS Number:
1549545-05-2
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD24197411
IUPAC Name:
(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methanol
InChI:
InChI=1S/C12H13N3O/c16-8-11-13-14-12(9-6-7-9)15(11)10-4-2-1-3-5-10/h1-5,9,16H,6-8H2
InChI Key:
VGRKANPJHISMPC-UHFFFAOYSA-N
SMILES:
OCc1nnc(n1c1ccccc1)C1CC1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties