tert-butyl N-(5-iodo-2-methoxyphenyl)carbamate

tert-butyl N-(5-iodo-2-methoxyphenyl)carbamate

CAS: 1474060-74-6

Formula: C12H16INO3

SMILES: COC1=CC=C(I)C=C1NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-(5-iodo-2-methoxyphenyl)carbamate

InChI: InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-9-7-8(13)5-6-10(9)16-4/h5-7H,1-4H3,(H,14,15)

Composition: C (41.28%), H (4.62%), I (36.34%), N (4.01%), O (13.75%)

Molar Mass: 349.168

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	349.01749
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CVJUVOXGHFZGCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.18
Topological Polar Surface Area	47.56
Polarizability	29.15
Ring Count	1
Rotatable Bond Count	4

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