Home Other Building Blocks 2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol hydrochloride

2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol hydrochloride

CAS No.:
1803599-64-5
Catalog Number:
AG01BA3V
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
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Product Description
Catalog Number:
AG01BA3V
Chemical Name:
2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol hydrochloride
CAS Number:
1803599-64-5
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD28397500
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c11-8-2-1-7-6-10-3-4-12-9(7)5-8;/h1-2,5,10-11H,3-4,6H2;1H
InChI Key:
ROCQFXUVEGWCBQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OCCNC2.Cl
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties