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ethyl 2-[4-(2-bromoacetyl)phenyl]-2-methylpropanoate

ethyl 2-[4-(2-bromoacetyl)phenyl]-2-methylpropanoate

CAS: 1645268-51-4

Formula: C14H17BrO3

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

IUPAC: ethyl 2-[4-(2-bromoacetyl)phenyl]-2-methylpropanoate

InChI: InChI=1S/C14H17BrO3/c1-4-18-13(17)14(2,3)11-7-5-10(6-8-11)12(16)9-15/h5-8H,4,9H2,1-3H3

Composition: C (53.69%), H (5.47%), Br (25.51%), O (15.33%)

Molar Mass: 313.191

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 312.036107
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FZQQICRPHDLZMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.1
Topological Polar Surface Area 43.37
Polarizability 28.58
Ring Count 1
Rotatable Bond Count 6

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