Home Other Building Blocks (2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol hydrochloride

(2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol hydrochloride

CAS No.:
2137725-59-6
Catalog Number:
AG01EMEL
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
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Product Description
Catalog Number:
AG01EMEL
Chemical Name:
(2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol hydrochloride
CAS Number:
2137725-59-6
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD31435850
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepin-5-ylmethanol;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c12-7-9-8-3-1-2-4-10(8)13-6-5-11-9;/h1-4,9,11-12H,5-7H2;1H
InChI Key:
UPUOSXWSKPAJKX-UHFFFAOYSA-N
SMILES:
OCC1NCCOc2c1cccc2.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties