1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one


Chemical Name: 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
CAS Number: 137977-97-0
Product Number: AG0017RY(AGN-PC-02GVHM)
Synonyms:
MDL No:
Molecular Formula: C18H17ClN2O2
Molecular Weight: 328.7928

Identification/Properties


Computed Properties
Molecular Weight:
328.796g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
328.098g/mol
Monoisotopic Mass:
328.098g/mol
Topological Polar Surface Area:
63.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
470
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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