tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate

tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate

CAS: 867333-30-0

Formula: C16H21BrN2O3

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=CC=C(Br)C=C1

IUPAC: tert-butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3

Composition: C (52.04%), H (5.73%), Br (21.64%), N (7.59%), O (13.00%)

Molar Mass: 369.259

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	368.073556
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BKZRMPOYXDWHSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.3
Topological Polar Surface Area	49.85
Polarizability	33.75
Ring Count	2
Rotatable Bond Count	3

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