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methyl 4-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate

methyl 4-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate

CAS: 114772-38-2

Formula: C15H13BrO2

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

IUPAC: methyl 4-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate

InChI: InChI=1S/C15H13BrO2/c1-18-15(17)14-9-11(10-16)7-8-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3

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 HNJJWQGZBAUTHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.07
Topological Polar Surface Area 26.3
Polarizability 30.1
Ring Count 2
Rotatable Bond Count 4

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95% <5 Days 114772-38-2 $480.00$480.00
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