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89508-76-9 | 2-Propanol, 2-[[4-(4,6-dichloro-2-pyrimidinyl)phenyl]amino]-
CAS No: 89508-76-9 Catalog No: AG0041EA MDL No:
Product Description
Catalog Number:
AG0041EA
Chemical Name:
2-Propanol, 2-[[4-(4,6-dichloro-2-pyrimidinyl)phenyl]amino]-
CAS Number:
89508-76-9
Molecular Formula:
C13H13Cl2N3O
Molecular Weight:
298.1678
IUPAC Name:
2-[4-(4,6-dichloropyrimidin-2-yl)anilino]propan-2-ol
InChI:
InChI=1S/C13H13Cl2N3O/c1-13(2,19)18-9-5-3-8(4-6-9)12-16-10(14)7-11(15)17-12/h3-7,18-19H,1-2H3
InChI Key:
VIGVEMVROYZTET-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1ccc(cc1)NC(O)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.167g/mol
Monoisotopic Mass:
297.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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