tert-butyl 3-bromo-4-methylbenzoate

tert-butyl 3-bromo-4-methylbenzoate

CAS: 160952-57-8

Formula: C12H15BrO2

SMILES: CC1=CC=C(C=C1Br)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-bromo-4-methylbenzoate

InChI: InChI=1S/C12H15BrO2/c1-8-5-6-9(7-10(8)13)11(14)15-12(2,3)4/h5-7H,1-4H3

Composition: C (53.16%), H (5.58%), Br (29.47%), O (11.80%)

Molar Mass: 271.154

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.025543
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RZOLYFYFBRHPQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.55
Topological Polar Surface Area	26.3
Polarizability	24.81
Ring Count	1
Rotatable Bond Count	3

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