Home Other Building Blocks 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one

2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one

CAS No.:
3158-91-6
Catalog Number:
AG0037OA
Molecular Formula:
C13H8ClNO2
Molecular Weight:
245.6611
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Product Description
Catalog Number:
AG0037OA
Chemical Name:
2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
CAS Number:
3158-91-6
Molecular Formula:
C13H8ClNO2
Molecular Weight:
245.6611
MDL Number:
MFCD06658244
IUPAC Name:
8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
InChI:
InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChI Key:
ZAGINEPNYIZLLO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)Nc1c(O2)cccc1
EC Number:
221-602-1
UNII:
XTG2E7M36O
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.024g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.662g/mol
Monoisotopic Mass:
245.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties