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16208-01-8 | Benzeneethanol, 4-[(5-amino-6-chloro-4-pyrimidinyl)amino]-
CAS No: 16208-01-8 Catalog No: AG001SPN MDL No:
Product Description
Catalog Number:
AG001SPN
Chemical Name:
Benzeneethanol, 4-[(5-amino-6-chloro-4-pyrimidinyl)amino]-
CAS Number:
16208-01-8
Molecular Formula:
C12H13ClN4O
Molecular Weight:
264.7108
IUPAC Name:
2-[4-[(5-amino-6-chloropyrimidin-4-yl)amino]phenyl]ethanol
InChI:
InChI=1S/C12H13ClN4O/c13-11-10(14)12(16-7-15-11)17-9-3-1-8(2-4-9)5-6-18/h1-4,7,18H,5-6,14H2,(H,15,16,17)
InChI Key:
ARFFYMIBQJKSJH-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)Nc1ncnc(c1N)Cl
NSC Number:
87691
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.713g/mol
Monoisotopic Mass:
264.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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