Home Other Building Blocks 3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

CAS No.:
1255781-07-7
Catalog Number:
AG01B5A9
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
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Product Description
Catalog Number:
AG01B5A9
Chemical Name:
3-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CAS Number:
1255781-07-7
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD17779710
IUPAC Name:
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenol
InChI:
InChI=1S/C11H13N3O/c1-7(2)10-12-11(14-13-10)8-4-3-5-9(15)6-8/h3-7,15H,1-2H3,(H,12,13,14)
InChI Key:
DMLGHJOLUWYGSE-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1n[nH]c(n1)C(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties