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methyl 4-(4-bromophenoxy)benzoate

methyl 4-(4-bromophenoxy)benzoate

CAS: 21120-75-2

Formula: C14H11BrO3

SMILES: COC(=O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1

IUPAC: methyl 4-(4-bromophenoxy)benzoate

InChI: InChI=1S/C14H11BrO3/c1-17-14(16)10-2-6-12(7-3-10)18-13-8-4-11(15)5-9-13/h2-9H,1H3

Composition: C (54.75%), H (3.61%), Br (26.02%), O (15.63%)

Molar Mass: 307.143

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 305.989157
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GVUFCGJTPGPJRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.95
Topological Polar Surface Area 35.53
Polarizability 27.85
Ring Count 2
Rotatable Bond Count 4

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