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155733-27-0 | Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-
CAS No: 155733-27-0 Catalog No: AG001O5D MDL No:
Product Description
Catalog Number:
AG001O5D
Chemical Name:
Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-
CAS Number:
155733-27-0
Molecular Formula:
C16H12ClN3O
Molecular Weight:
297.7390
IUPAC Name:
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
InChI:
InChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20)
InChI Key:
CMYSPHIEHNZLJW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(N)nc(c1)c1ccccc1O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.742g/mol
Monoisotopic Mass:
297.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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