ethyl 3-(3-bromo-5-fluorophenyl)-3-hydroxyprop-2-enoate

ethyl 3-(3-bromo-5-fluorophenyl)-3-hydroxyprop-2-enoate

CAS: 1020058-44-9

Formula: C11H10BrFO3

SMILES: CCOC(=O)C=C(O)C1=CC(F)=CC(Br)=C1

IUPAC: ethyl 3-(3-bromo-5-fluorophenyl)-3-hydroxyprop-2-enoate

InChI: InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-6,14H,2H2,1H3

Composition: C (45.70%), H (3.49%), Br (27.64%), F (6.57%), O (16.60%)

Molar Mass: 289.1

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.979735
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NCXCPGVGDPBTNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.31
Topological Polar Surface Area	46.53
Polarizability	23.35
Ring Count	1
Rotatable Bond Count	4

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