ethyl 4-bromocyclohex-3-ene-1-carboxylate

ethyl 4-bromocyclohex-3-ene-1-carboxylate

CAS: 1365272-96-3

Formula: C9H13BrO2

SMILES: CCOC(=O)C1CCC(Br)=CC1

IUPAC: ethyl 4-bromocyclohex-3-ene-1-carboxylate

InChI: InChI=1/C9H13BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h5,7H,2-4,6H2,1H3

Composition: C (46.37%), H (5.62%), Br (34.28%), O (13.73%)

Molar Mass: 233.105

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	232.009893
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JMGPAKUOUAFRNQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.17
Topological Polar Surface Area	26.3
Polarizability	19.89
Ring Count	1
Rotatable Bond Count	3

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