tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

CAS: 109770-82-3

Formula: C9H15BrN2O3

SMILES: CC(C)(C)OC(=O)NCC1CC(Br)=NO1

IUPAC: tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

InChI: InChI=1/C9H15BrN2O3/c1-9(2,3)14-8(13)11-5-6-4-7(10)12-15-6/h6H,4-5H2,1-3H3,(H,11,13)

Composition: C (38.73%), H (5.42%), Br (28.63%), N (10.04%), O (17.19%)

Molar Mass: 279.134

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	278.026605
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AHAHZEKELWWMSJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.04
Topological Polar Surface Area	59.92
Polarizability	22.88
Ring Count	1
Rotatable Bond Count	4

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