2-[(3-bromophenyl)methoxy]benzoic acid

2-[(3-bromophenyl)methoxy]benzoic acid

CAS: 743453-43-2

Formula: C14H11BrO3

SMILES: OC(=O)C1=C(OCC2=CC(Br)=CC=C2)C=CC=C1

IUPAC: 2-[(3-bromophenyl)methoxy]benzoic acid

InChI: InChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)

Composition: C (54.75%), H (3.61%), Br (26.02%), O (15.63%)

Molar Mass: 307.143

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.989157
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XXEHDADBNHDAIB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.01
Topological Polar Surface Area	46.53
Polarizability	27.56
Ring Count	2
Rotatable Bond Count	4

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