Home Carboxys 2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid hydrochloride

2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid hydrochloride

CAS No.:
2126160-78-7
Catalog Number:
AG01ELIJ
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ELIJ
Chemical Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid hydrochloride
CAS Number:
2126160-78-7
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
MDL Number:
MFCD31381458
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H11NO3.ClH/c12-10(13)9-7-3-1-2-4-8(7)14-6-5-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H
InChI Key:
FNDKFWJRUQEMAW-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCOc2c1cccc2.Cl
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
229.66g/mol
Monoisotopic Mass:
229.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties