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ethyl 2-[2-(bromomethyl)phenyl]acetate

ethyl 2-[2-(bromomethyl)phenyl]acetate

CAS: 39191-76-9

Formula: C11H13BrO2

SMILES: CCOC(=O)CC1=C(CBr)C=CC=C1

IUPAC: ethyl 2-[2-(bromomethyl)phenyl]acetate

InChI: InChI=1S/C11H13BrO2/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8H2,1H3

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.009893
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GYHZOHHVPLIUGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.73
Topological Polar Surface Area 26.3
Polarizability 22.99
Ring Count 1
Rotatable Bond Count 5

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