ethyl 3-(2-bromophenyl)propanoate

ethyl 3-(2-bromophenyl)propanoate

CAS: 135613-33-1

Formula: C11H13BrO2

SMILES: CCOC(=O)CCC1=C(Br)C=CC=C1

IUPAC: ethyl 3-(2-bromophenyl)propanoate

InChI: InChI=1S/C11H13BrO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)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	ZKICRDRBPPOQLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.11
Topological Polar Surface Area	26.3
Polarizability	23.09
Ring Count	1
Rotatable Bond Count	5

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