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849021-31-4 | 1-(4-(tert-Butyl);phenyl);-2-(pyrimidin-4-yl);ethanol
CAS No: 849021-31-4 Catalog No: AG004QDP MDL No:MFCD03426054
Product Description
Catalog Number:
AG004QDP
Chemical Name:
1-(4-(tert-Butyl);phenyl);-2-(pyrimidin-4-yl);ethanol
CAS Number:
849021-31-4
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
MDL Number:
MFCD03426054
IUPAC Name:
1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol
InChI:
InChI=1S/C16H20N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11,15,19H,10H2,1-3H3
InChI Key:
PENPEXKNMMNVKA-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(C)(C)C)Cc1ccncn1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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