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89112-77-6 | Phenol, 2-[2-amino-6-(2-chlorophenyl)-4-pyrimidinyl]-4-chloro-
CAS No: 89112-77-6 Catalog No: AG003YFC MDL No:
Product Description
Catalog Number:
AG003YFC
Chemical Name:
Phenol, 2-[2-amino-6-(2-chlorophenyl)-4-pyrimidinyl]-4-chloro-
CAS Number:
89112-77-6
Molecular Formula:
C16H11Cl2N3O
Molecular Weight:
332.1840
IUPAC Name:
2-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-4-chlorophenol
InChI:
InChI=1S/C16H11Cl2N3O/c17-9-5-6-15(22)11(7-9)14-8-13(20-16(19)21-14)10-3-1-2-4-12(10)18/h1-8,22H,(H2,19,20,21)
InChI Key:
BTRXIYXTKPBKMF-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc(N)nc(c1)c1ccccc1Cl)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.184g/mol
Monoisotopic Mass:
331.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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