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ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate

ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate

CAS: 84337-85-9

Formula: C15H13BrO2

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

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

InChI: InChI=1S/C15H13BrO2/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10H,2H2,1H3

Composition: C (59.04%), H (4.29%), Br (26.18%), O (10.49%)

Molar Mass: 305.171

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 304.009893
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SIGMCUUJTGVTCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.59
Topological Polar Surface Area 26.3
Polarizability 30.2
Ring Count 2
Rotatable Bond Count 4

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