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849021-42-7 | 2-(4-(5-Bromopyrimidin-2-yl)piperazin-1-yl)ethanol
CAS No: 849021-42-7 Catalog No: AG004M8O MDL No:MFCD03452782
Product Description
Catalog Number:
AG004M8O
Chemical Name:
2-(4-(5-Bromopyrimidin-2-yl)piperazin-1-yl)ethanol
CAS Number:
849021-42-7
Molecular Formula:
C10H15BrN4O
Molecular Weight:
287.1563
MDL Number:
MFCD03452782
IUPAC Name:
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2
InChI Key:
ZZAGRUBMUDIADL-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ncc(cn1)Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.161g/mol
Monoisotopic Mass:
286.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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