5-bromo-2-(tert-butoxy)pyrimidine

5-bromo-2-(tert-butoxy)pyrimidine

CAS: 121487-13-6

Formula: C8H11BrN2O

SMILES: CC(C)(C)OC1=NC=C(Br)C=N1

IUPAC: 5-bromo-2-(tert-butoxy)pyrimidine

InChI: InChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3

Composition: C (41.58%), H (4.80%), Br (34.58%), N (12.12%), O (6.92%)

Molar Mass: 231.093

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.005476
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UPKQXRBCDUBUTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.56
Topological Polar Surface Area	35.01
Polarizability	19.48
Ring Count	1
Rotatable Bond Count	2

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