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Home > Other Building Blocks > 13127-21-4
13127-21-4 | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-5-phenyl-
CAS No: 13127-21-4 Catalog No: AG000VUM MDL No:
Product Description
Catalog Number:
AG000VUM
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-5-phenyl-
CAS Number:
13127-21-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H12N2O2/c18-14-15(19)17-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,15,19H,(H,16,18)
InChI Key:
AOKGQOYNOXSOLF-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(=NC1O)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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