3-(2-bromophenoxy)propanoic acid

3-(2-bromophenoxy)propanoic acid

CAS: 165538-35-2

Formula: C9H9BrO3

SMILES: OC(=O)CCOC1=CC=CC=C1Br

IUPAC: 3-(2-bromophenoxy)propanoic acid

InChI: InChI=1S/C9H9BrO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(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	YRCVMOJOHSPJGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.93
Topological Polar Surface Area	46.53
Polarizability	19.99
Ring Count	1
Rotatable Bond Count	4

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