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89722-60-1 | Acetamide, 2-chloro-N-(2,5-dihydro-1H-2,4-benzodiazepin-3-yl)-
CAS No: 89722-60-1 Catalog No: AG00431E MDL No:
Product Description
Catalog Number:
AG00431E
Chemical Name:
Acetamide, 2-chloro-N-(2,5-dihydro-1H-2,4-benzodiazepin-3-yl)-
CAS Number:
89722-60-1
Molecular Formula:
C11H12ClN3O
Molecular Weight:
237.6855
IUPAC Name:
2-chloro-N-(2,5-dihydro-1H-2,4-benzodiazepin-3-yl)acetamide
InChI:
InChI=1S/C11H12ClN3O/c12-5-10(16)15-11-13-6-8-3-1-2-4-9(8)7-14-11/h1-4H,5-7H2,(H2,13,14,15,16)
InChI Key:
XJUOAGLGGUOHFQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC1=NCc2c(CN1)cccc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.687g/mol
Monoisotopic Mass:
237.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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