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methyl 2-(4-bromo-2-hydroxyphenyl)acetate

methyl 2-(4-bromo-2-hydroxyphenyl)acetate

CAS: 205318-12-3

Formula: C9H9BrO3

SMILES: COC(=O)CC1=CC=C(Br)C=C1O

IUPAC: methyl 2-(4-bromo-2-hydroxyphenyl)acetate

InChI: InChI=1S/C9H9BrO3/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5,11H,4H2,1H3

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 2
Hydrogen Bond Donor Count 1
InChIKey XBOMCEKGANOYMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.74
Topological Polar Surface Area 46.53
Polarizability 20.15
Ring Count 1
Rotatable Bond Count 3

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