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799270-81-8 | Pyrimidine, 2-chloro-4-(1E)-1-heptenyl-5-methoxy-
CAS No: 799270-81-8 Catalog No: AG0054IK MDL No:
Product Description
Catalog Number:
AG0054IK
Chemical Name:
Pyrimidine, 2-chloro-4-(1E)-1-heptenyl-5-methoxy-
CAS Number:
799270-81-8
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
IUPAC Name:
2-chloro-4-hept-1-enyl-5-methoxypyrimidine
InChI:
InChI=1S/C12H17ClN2O/c1-3-4-5-6-7-8-10-11(16-2)9-14-12(13)15-10/h7-9H,3-6H2,1-2H3
InChI Key:
OYMKZFYQRPBHPB-UHFFFAOYSA-N
SMILES:
CCCCC/C=C/c1nc(Cl)ncc1OC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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