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ethyl 4-bromobenzoate

ethyl 4-bromobenzoate

CAS: 5798-75-4

Formula: C9H9BrO2

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

IUPAC: ethyl 4-bromobenzoate

InChI: InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Composition: C (47.19%), H (3.96%), Br (34.88%), O (13.97%)

Molar Mass: 229.073

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.978593
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XZIAFENWXIQIKR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.45
Topological Polar Surface Area 26.3
Polarizability 19.43
Ring Count 1
Rotatable Bond Count 3

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