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951884-34-7 | 5-Bromo-4-pentylpyrimidine
CAS No: 951884-34-7 Catalog No: AG003MJL MDL No:MFCD09800934
Product Description
Catalog Number:
AG003MJL
Chemical Name:
5-Bromo-4-pentylpyrimidine
CAS Number:
951884-34-7
Molecular Formula:
C9H13BrN2
Molecular Weight:
229.1169
MDL Number:
MFCD09800934
IUPAC Name:
5-bromo-4-pentylpyrimidine
InChI:
InChI=1S/C9H13BrN2/c1-2-3-4-5-9-8(10)6-11-7-12-9/h6-7H,2-5H2,1H3
InChI Key:
BOKJNBADLRQINQ-UHFFFAOYSA-N
SMILES:
CCCCCc1ncncc1Br
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.121g/mol
Monoisotopic Mass:
228.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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