3-bromo-4-ethoxybenzoic acid

3-bromo-4-ethoxybenzoic acid

CAS: 24507-29-7

Formula: C9H9BrO3

SMILES: CCOC1=C(Br)C=C(C=C1)C(O)=O

IUPAC: 3-bromo-4-ethoxybenzoic acid

InChI: InChI=1S/C9H9BrO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.973507
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XCKMWULLKHQZIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.15
Topological Polar Surface Area	46.53
Polarizability	19.97
Ring Count	1
Rotatable Bond Count	3

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