tert-butyl 4-bromo-3,5-dimethoxybenzoate

tert-butyl 4-bromo-3,5-dimethoxybenzoate

CAS: 167830-43-5

Formula: C13H17BrO4

SMILES: COC1=CC(=CC(OC)=C1Br)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-bromo-3,5-dimethoxybenzoate

InChI: InChI=1S/C13H17BrO4/c1-13(2,3)18-12(15)8-6-9(16-4)11(14)10(7-8)17-5/h6-7H,1-5H3

Composition: C (49.23%), H (5.40%), Br (25.19%), O (20.18%)

Molar Mass: 317.179

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.031022
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UAECIQRZECFONO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.44
Topological Polar Surface Area	44.76
Polarizability	28.19
Ring Count	1
Rotatable Bond Count	5

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