Home Carboxys methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate hydrochloride

methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate hydrochloride

CAS No.:
2126178-86-5
Catalog Number:
AG01EHUR
Molecular Formula:
C11H14ClNO3
Molecular Weight:
243.6868
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Product Description
Catalog Number:
AG01EHUR
Chemical Name:
methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate hydrochloride
CAS Number:
2126178-86-5
Molecular Formula:
C11H14ClNO3
Molecular Weight:
243.6868
IUPAC Name:
methyl 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO3.ClH/c1-14-11(13)9-4-2-3-8-7-12-5-6-15-10(8)9;/h2-4,12H,5-7H2,1H3;1H
InChI Key:
BXYATHNRNGXFIP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1OCCNC2.Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.066g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.687g/mol
Monoisotopic Mass:
243.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties