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137973-09-2 | 5H-1-Benzazepin-5-one, 1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydro-
CAS No: 137973-09-2 Catalog No: AG0017QY MDL No:
Product Description
Catalog Number:
AG0017QY
Chemical Name:
5H-1-Benzazepin-5-one, 1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydro-
CAS Number:
137973-09-2
Molecular Formula:
C17H13ClN2O4
Molecular Weight:
344.7491
IUPAC Name:
1-(2-chloro-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
InChI:
InChI=1S/C17H13ClN2O4/c18-14-10-11(20(23)24)7-8-12(14)17(22)19-9-3-6-16(21)13-4-1-2-5-15(13)19/h1-2,4-5,7-8,10H,3,6,9H2
InChI Key:
QPGNNDDBLWCIAS-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.751g/mol
Monoisotopic Mass:
344.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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