ethyl 5-bromo-2-methoxybenzoate

ethyl 5-bromo-2-methoxybenzoate

CAS: 773134-60-4

Formula: C10H11BrO3

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

IUPAC: ethyl 5-bromo-2-methoxybenzoate

InChI: InChI=1S/C10H11BrO3/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6H,3H2,1-2H3

Composition: C (46.36%), H (4.28%), Br (30.84%), O (18.52%)

Molar Mass: 259.099

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.989157
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SSWZRFVKMFHRKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.92
Topological Polar Surface Area	35.53
Polarizability	21.99
Ring Count	1
Rotatable Bond Count	4

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