tert-butyl N-[(2-bromo-5-methoxyphenyl)methyl]carbamate

tert-butyl N-[(2-bromo-5-methoxyphenyl)methyl]carbamate

CAS: 478375-35-8

Formula: C13H18BrNO3

SMILES: COC1=CC(CNC(=O)OC(C)(C)C)=C(Br)C=C1

IUPAC: tert-butyl N-[(2-bromo-5-methoxyphenyl)methyl]carbamate

InChI: InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(16)15-8-9-7-10(17-4)5-6-11(9)14/h5-7H,8H2,1-4H3,(H,15,16)

Composition: C (49.38%), H (5.74%), Br (25.27%), N (4.43%), O (15.18%)

Molar Mass: 316.195

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	315.047006
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YJMICQKLIMSXDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.49
Topological Polar Surface Area	47.56
Polarizability	28.63
Ring Count	1
Rotatable Bond Count	5

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