ethyl 2-(4-bromophenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-bromophenyl)-1,3-oxazole-4-carboxylate

CAS: 391248-23-0

Formula: C12H10BrNO3

SMILES: CCOC(=O)C1=COC(=N1)C1=CC=C(Br)C=C1

IUPAC: ethyl 2-(4-bromophenyl)-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C12H10BrNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3

Composition: C (48.67%), H (3.40%), Br (26.98%), N (4.73%), O (16.21%)

Molar Mass: 296.12

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	294.984406
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DPKLLURBSVFMKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.89
Topological Polar Surface Area	52.33
Polarizability	25.71
Ring Count	2
Rotatable Bond Count	4

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