tert-butyl 4-(bromomethyl)benzoate

tert-butyl 4-(bromomethyl)benzoate

CAS: 108052-76-2

Formula: C12H15BrO2

SMILES: CC(C)(C)OC(=O)C1=CC=C(CBr)C=C1

IUPAC: tert-butyl 4-(bromomethyl)benzoate

InChI: InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3

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	GSIBTIUXYYFCPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.74
Topological Polar Surface Area	26.3
Polarizability	24.79
Ring Count	1
Rotatable Bond Count	4

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