tert-butyl N-(5-bromo-3-chloropyridin-2-yl)carbamate

tert-butyl N-(5-bromo-3-chloropyridin-2-yl)carbamate

CAS: 748812-75-1

Formula: C10H12BrClN2O2

SMILES: CC(C)(C)OC(=O)NC1=NC=C(Br)C=C1Cl

IUPAC: tert-butyl N-(5-bromo-3-chloropyridin-2-yl)carbamate

InChI: InChI=1S/C10H12BrClN2O2/c1-10(2,3)16-9(15)14-8-7(12)4-6(11)5-13-8/h4-5H,1-3H3,(H,13,14,15)

Composition: C (39.05%), H (3.93%), Br (25.98%), Cl (11.53%), N (9.11%), O (10.40%)

Molar Mass: 307.57

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	305.977068
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NXIQCITXMFEAOZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.93
Topological Polar Surface Area	51.22
Polarizability	25.43
Ring Count	1
Rotatable Bond Count	3

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