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1789-33-9 | 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-cyclohexyl-1,3-dihydro-
CAS No: 1789-33-9 Catalog No: AG0026HM MDL No:
Product Description
Catalog Number:
AG0026HM
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-cyclohexyl-1,3-dihydro-
CAS Number:
1789-33-9
Molecular Formula:
C15H17ClN2O
Molecular Weight:
276.7613
IUPAC Name:
7-chloro-5-cyclohexyl-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H17ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,19)
InChI Key:
PSLXVIRZPPLZRY-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)ccc(c2)Cl)C1CCCCC1
EC Number:
217-254-5
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.764g/mol
Monoisotopic Mass:
276.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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