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126215-85-8 | Pyrimidine, 5-chloro-2-(4-pentyn-1-yl)-
CAS No: 126215-85-8 Catalog No: AG000SCS MDL No:
Product Description
Catalog Number:
AG000SCS
Chemical Name:
Pyrimidine, 5-chloro-2-(4-pentyn-1-yl)-
CAS Number:
126215-85-8
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
IUPAC Name:
5-chloro-2-pent-4-ynylpyrimidine
InChI:
InChI=1S/C9H9ClN2/c1-2-3-4-5-9-11-6-8(10)7-12-9/h1,6-7H,3-5H2
InChI Key:
SNXJAXRSBOXCCN-UHFFFAOYSA-N
SMILES:
C#CCCCc1ncc(cn1)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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