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methyl 2-[2-(4-bromophenyl)ethyl]-6-hydroxybenzoate

methyl 2-[2-(4-bromophenyl)ethyl]-6-hydroxybenzoate

CAS: 1171923-98-0

Formula: C16H15BrO3

SMILES: COC(=O)C1=C(CCC2=CC=C(Br)C=C2)C=CC=C1O

IUPAC: methyl 2-[2-(4-bromophenyl)ethyl]-6-hydroxybenzoate

InChI: InChI=1S/C16H15BrO3/c1-20-16(19)15-12(3-2-4-14(15)18)8-5-11-6-9-13(17)10-7-11/h2-4,6-7,9-10,18H,5,8H2,1H3

Composition: C (57.33%), H (4.51%), Br (23.84%), O (14.32%)

Molar Mass: 335.197

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 334.020457
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ACNYZIQTZGRROD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 82.03
Topological Polar Surface Area 46.53
Polarizability 31.24
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 1171923-98-0 $453.60$453.60
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