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88236-08-2 | Phenol, 2-(2-chloro-6-phenyl-4-pyrimidinyl)-
CAS No: 88236-08-2 Catalog No: AG004AWI MDL No:
Product Description
Catalog Number:
AG004AWI
Chemical Name:
Phenol, 2-(2-chloro-6-phenyl-4-pyrimidinyl)-
CAS Number:
88236-08-2
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
IUPAC Name:
2-(2-chloro-6-phenylpyrimidin-4-yl)phenol
InChI:
InChI=1S/C16H11ClN2O/c17-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)20/h1-10,20H
InChI Key:
MIJQFGMGXOPMQO-UHFFFAOYSA-N
SMILES:
Clc1nc(cc(n1)c1ccccc1O)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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