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tert-butyl 4-bromopent-4-enoate

tert-butyl 4-bromopent-4-enoate

CAS: 92975-38-7

Formula: C9H15BrO2

SMILES: CC(C)(C)OC(=O)CCC(Br)=C

IUPAC: tert-butyl 4-bromopent-4-enoate

InChI: InChI=1S/C9H15BrO2/c1-7(10)5-6-8(11)12-9(2,3)4/h1,5-6H2,2-4H3

Composition: C (45.98%), H (6.43%), Br (33.98%), O (13.61%)

Molar Mass: 235.121

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 234.025543
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XGRJTGUVPIVGNK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.78
Topological Polar Surface Area 26.3
Polarizability 20.59
Ring Count 0
Rotatable Bond Count 5

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