tert-butyl 9-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate


Chemical Name: tert-butyl 9-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
CAS Number: 886364-21-2
Product Number: AG004A1X(AGN-PC-051LRN)
Synonyms:
MDL No:
Molecular Formula: C14H19ClN2O2
Molecular Weight: 282.7659

Identification/Properties


Properties
BP:
404.2 °C at 760 mmHg
Computed Properties
Molecular Weight:
282.768g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
282.114g/mol
Monoisotopic Mass:
282.114g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
330
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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