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144066-30-8 | 1H-1-Benzazepine-2,5-dione, 8-chloro-3-methoxy-
CAS No: 144066-30-8 Catalog No: AG001IVF MDL No:
Product Description
Catalog Number:
AG001IVF
Chemical Name:
1H-1-Benzazepine-2,5-dione, 8-chloro-3-methoxy-
CAS Number:
144066-30-8
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
IUPAC Name:
8-chloro-3-methoxy-1H-1-benzazepine-2,5-dione
InChI:
InChI=1S/C11H8ClNO3/c1-16-10-5-9(14)7-3-2-6(12)4-8(7)13-11(10)15/h2-5H,1H3,(H,13,15)
InChI Key:
JKMOBOHXNLDVPW-UHFFFAOYSA-N
SMILES:
COc1cc(=O)c2c([nH]c1=O)cc(cc2)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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