5-bromo-4-(4-ethylphenyl)pyrimidine

5-bromo-4-(4-ethylphenyl)pyrimidine

CAS: 951884-40-5

Formula: C12H11BrN2

SMILES: CCC1=CC=C(C=C1)C1=NC=NC=C1Br

IUPAC: 5-bromo-4-(4-ethylphenyl)pyrimidine

InChI: InChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)12-11(13)7-14-8-15-12/h3-8H,2H2,1H3

Composition: C (54.77%), H (4.21%), Br (30.37%), N (10.65%)

Molar Mass: 263.138

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.010561
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TYXNSADRHQQYQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.75
Topological Polar Surface Area	25.78
Polarizability	25.77
Ring Count	2
Rotatable Bond Count	2

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