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


Chemical Name: tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate
CAS Number: 924818-01-9
Product Number: AG003D2D(AGN-PC-04Q6O2)
Synonyms:
MDL No: MFCD06410617
Molecular Formula: C15H22BrNO3
Molecular Weight: 344.2441

Identification/Properties


Computed Properties
Molecular Weight:
344.249g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
343.078g/mol
Monoisotopic Mass:
343.078g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
296
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331-H341
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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