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methyl 4'-bromo-[1,1'-biphenyl]-3-carboxylate

methyl 4'-bromo-[1,1'-biphenyl]-3-carboxylate

CAS: 149506-25-2

Formula: C14H11BrO2

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

IUPAC: methyl 4'-bromo-[1,1'-biphenyl]-3-carboxylate

InChI: InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-3-11(9-12)10-5-7-13(15)8-6-10/h2-9H,1H3

Composition: C (57.76%), H (3.81%), Br (27.44%), O (10.99%)

Molar Mass: 291.144

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.994243
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey UTOKFKAMZICCBU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.84
Topological Polar Surface Area 26.3
Polarizability 28.36
Ring Count 2
Rotatable Bond Count 3

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