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99931-82-5 | 1-(5-Bromopyrimidin-2-yl)piperazine
CAS No: 99931-82-5 Catalog No: AG003VLI MDL No:MFCD01314280
Product Description
Catalog Number:
AG003VLI
Chemical Name:
1-(5-Bromopyrimidin-2-yl)piperazine
CAS Number:
99931-82-5
Molecular Formula:
C8H11BrN4
Molecular Weight:
243.1037
MDL Number:
MFCD01314280
IUPAC Name:
5-bromo-2-piperazin-1-ylpyrimidine
InChI:
InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChI Key:
YHWLBBPOKRHVAR-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)N1CCNCC1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.108g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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