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850761-36-3 | tert-Butyl 3-iodopiperidine-1-carboxylate
CAS No: 850761-36-3 Catalog No: AG004XO5 MDL No:MFCD08059309
Product Description
Catalog Number:
AG004XO5
Chemical Name:
tert-Butyl 3-iodopiperidine-1-carboxylate
CAS Number:
850761-36-3
Molecular Formula:
C10H18INO2
Molecular Weight:
311.1599
MDL Number:
MFCD08059309
IUPAC Name:
tert-butyl 3-iodopiperidine-1-carboxylate
InChI:
InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
InChI Key:
JXEZFSNOYBRXFT-UHFFFAOYSA-N
SMILES:
IC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.163g/mol
Monoisotopic Mass:
311.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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