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14439-67-9 | 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-(2-propyn-1-yl)-
CAS No: 14439-67-9 Catalog No: AG001JG3 MDL No:
Product Description
Catalog Number:
AG001JG3
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-(2-propyn-1-yl)-
CAS Number:
14439-67-9
Molecular Formula:
C18H12Cl2N2O
Molecular Weight:
343.2067
IUPAC Name:
7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C18H12Cl2N2O/c1-2-9-22-16-8-7-12(19)10-14(16)18(21-11-17(22)23)13-5-3-4-6-15(13)20/h1,3-8,10H,9,11H2
InChI Key:
WACBHOJHCKURCH-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1Cl
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.207g/mol
Monoisotopic Mass:
342.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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