3-bromo-5-propoxybenzoic acid

3-bromo-5-propoxybenzoic acid

CAS: 1226808-68-9

Formula: C10H11BrO3

SMILES: CCCOC1=CC(Br)=CC(=C1)C(O)=O

IUPAC: 3-bromo-5-propoxybenzoic acid

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

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	3
Hydrogen Bond Donor Count	1
InChIKey	OFSWAAVHABKEGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.67
Topological Polar Surface Area	46.53
Polarizability	21.76
Ring Count	1
Rotatable Bond Count	4

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