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20927-55-3 | 1H-1,4-Benzodiazepine-2,3-dione, 7-chloro-5-phenyl-
CAS No: 20927-55-3 Catalog No: AG002K5L MDL No:
Product Description
Catalog Number:
AG002K5L
Chemical Name:
1H-1,4-Benzodiazepine-2,3-dione, 7-chloro-5-phenyl-
CAS Number:
20927-55-3
Molecular Formula:
C15H9ClN2O2
Molecular Weight:
284.6972
IUPAC Name:
7-chloro-5-phenyl-1H-1,4-benzodiazepine-2,3-dione
InChI:
InChI=1S/C15H9ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8H,(H,17,18,19,20)
InChI Key:
CNXUJSZPLRNZKN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nc(=O)c(=O)[nH]2)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.699g/mol
Monoisotopic Mass:
284.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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