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1040326-87-1 | 4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenol
CAS No: 1040326-87-1 Catalog No: AG01BD6Y MDL No:MFCD11184221
Product Description
Catalog Number:
AG01BD6Y
Chemical Name:
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenol
CAS Number:
1040326-87-1
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD11184221
IUPAC Name:
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
InChI:
InChI=1S/C12H13N3O/c16-10-6-4-9(5-7-10)12-14-13-11-3-1-2-8-15(11)12/h4-7,16H,1-3,8H2
InChI Key:
UZAWKGWTZYUVPR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nnc2n1CCCC2
Properties
Complexity:
240
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:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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