tert-butyl N-[(4-bromo-2-methylphenyl)methyl]carbamate

tert-butyl N-[(4-bromo-2-methylphenyl)methyl]carbamate

CAS: 1352896-24-2

Formula: C13H18BrNO2

SMILES: CC1=C(CNC(=O)OC(C)(C)C)C=CC(Br)=C1

IUPAC: tert-butyl N-[(4-bromo-2-methylphenyl)methyl]carbamate

InChI: InChI=1S/C13H18BrNO2/c1-9-7-11(14)6-5-10(9)8-15-12(16)17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)

Composition: C (52.01%), H (6.04%), Br (26.62%), N (4.67%), O (10.66%)

Molar Mass: 300.196

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.052092
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VHEPLPABOPCNNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.07
Topological Polar Surface Area	38.33
Polarizability	27.82
Ring Count	1
Rotatable Bond Count	4

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