tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate

tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate

CAS: 262433-01-2

Formula: C12H16BrNO3

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

IUPAC: tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate

InChI: InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)

Composition: C (47.70%), H (5.34%), Br (26.44%), N (4.64%), O (15.88%)

Molar Mass: 302.168

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	301.031356
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LFWHJZGNFWTUIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.44
Topological Polar Surface Area	47.56
Polarizability	26.8
Ring Count	1
Rotatable Bond Count	4

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