2-(2-bromo-4-formylphenoxy)propanoic acid

2-(2-bromo-4-formylphenoxy)propanoic acid

CAS: 812642-67-4

Formula: C10H9BrO4

SMILES: CC(OC1=C(Br)C=C(C=O)C=C1)C(O)=O

IUPAC: 2-(2-bromo-4-formylphenoxy)propanoic acid

InChI: InChI=1/C10H9BrO4/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-6H,1H3,(H,13,14)

Composition: C (43.98%), H (3.32%), Br (29.26%), O (23.43%)

Molar Mass: 273.082

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	271.968422
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HOPBEIMHXUNAGU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.31
Topological Polar Surface Area	63.6
Polarizability	21.96
Ring Count	1
Rotatable Bond Count	4

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