tert-butyl N-[3-(bromomethyl)phenyl]carbamate

tert-butyl N-[3-(bromomethyl)phenyl]carbamate

CAS: 118684-32-5

Formula: C12H16BrNO2

SMILES: CC(C)(C)OC(=O)NC1=CC(CBr)=CC=C1

IUPAC: tert-butyl N-[3-(bromomethyl)phenyl]carbamate

InChI: InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3,(H,14,15)

Composition: C (50.37%), H (5.64%), Br (27.92%), N (4.89%), O (11.18%)

Molar Mass: 286.169

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.036442
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HQPYEVSQMSDBFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.2
Topological Polar Surface Area	38.33
Polarizability	25.96
Ring Count	1
Rotatable Bond Count	4

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