5-bromo-2,4-dihydroxybenzoic acid hydrate

5-bromo-2,4-dihydroxybenzoic acid hydrate

CAS: 160348-98-1

Formula: C7H7BrO5

SMILES: O.OC(=O)C1=CC(Br)=C(O)C=C1O

IUPAC: 5-bromo-2,4-dihydroxybenzoic acid hydrate

InChI: InChI=1S/C7H5BrO4.H2O/c8-4-1-3(7(11)12)5(9)2-6(4)10;/h1-2,9-10H,(H,11,12);1H2

Composition: C (33.49%), H (2.81%), Br (31.83%), O (31.87%)

Molar Mass: 251.032

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.947686
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MRIKDYLDHHINRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.9
Topological Polar Surface Area	77.76
Polarizability	17.04
Ring Count	1
Rotatable Bond Count	1

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