tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate

tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate

CAS: 924818-01-9

Formula: C15H22BrNO3

SMILES: COC1=CC=C(C=C1)C(CCBr)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate

InChI: InChI=1/C15H22BrNO3/c1-15(2,3)20-14(18)17-13(9-10-16)11-5-7-12(19-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,18)

Composition: C (52.34%), H (6.44%), Br (23.21%), N (4.07%), O (13.94%)

Molar Mass: 344.249

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	343.078307
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SVVVYYWYCSWULE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.73
Topological Polar Surface Area	47.56
Polarizability	32.17
Ring Count	1
Rotatable Bond Count	7

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