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

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

CAS: 1039982-37-0

Formula: C14H10Br2O3

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

IUPAC: 5-bromo-2-[(3-bromophenyl)methoxy]benzoic acid

InChI: InChI=1S/C14H10Br2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)

Composition: C (43.56%), H (2.61%), Br (41.40%), O (12.43%)

Molar Mass: 386.039

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 383.89967
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YIUOBGKLGFCDFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.64
Topological Polar Surface Area 46.53
Polarizability 30.55
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 1039982-37-0 $134.76$134.76
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