Home Carboxys methyl 4-(3-iodopyridin-4-yl)piperazine-1-carboxylate

methyl 4-(3-iodopyridin-4-yl)piperazine-1-carboxylate

CAS No.:
1803566-55-3
Catalog Number:
AG01BFR9
Molecular Formula:
C11H14IN3O2
Molecular Weight:
347.1522
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Product Description
Catalog Number:
AG01BFR9
Chemical Name:
methyl 4-(3-iodopyridin-4-yl)piperazine-1-carboxylate
CAS Number:
1803566-55-3
Molecular Formula:
C11H14IN3O2
Molecular Weight:
347.1522
MDL Number:
MFCD28145219
IUPAC Name:
methyl 4-(3-iodopyridin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C11H14IN3O2/c1-17-11(16)15-6-4-14(5-7-15)10-2-3-13-8-9(10)12/h2-3,8H,4-7H2,1H3
InChI Key:
UFENOCXCEJYUNK-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCN(CC1)c1ccncc1I
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.013g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.156g/mol
Monoisotopic Mass:
347.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties