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benzyl 3-bromopropanoate

benzyl 3-bromopropanoate

CAS: 90841-55-7

Formula: C10H11BrO2

SMILES: BrCCC(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-bromopropanoate

InChI: InChI=1S/C10H11BrO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2

Composition: C (49.41%), H (4.56%), Br (32.87%), O (13.16%)

Molar Mass: 243.1

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.994243
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QJKVDFRAKMVERC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.46
Topological Polar Surface Area 26.3
Polarizability 21.17
Ring Count 1
Rotatable Bond Count 5

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