tert-butyl N-[(1s,3s)-3-iodocyclobutyl]carbamate

tert-butyl N-[(1s,3s)-3-iodocyclobutyl]carbamate

CAS: 1389264-12-3

Formula: C9H16INO2

SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@H](I)C1

IUPAC: tert-butyl N-[(1s,3s)-3-iodocyclobutyl]carbamate

InChI: InChI=1/C9H16INO2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7+

Composition: C (36.38%), H (5.43%), I (42.71%), N (4.71%), O (10.77%)

Molar Mass: 297.136

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	297.02257
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XGEFFDGFPRWHAW-KNVOCYPGNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.52
Topological Polar Surface Area	38.33
Polarizability	23.61
Ring Count	1
Rotatable Bond Count	3

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