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Home > Pyridines > 956431-47-3
956431-47-3 | 2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
CAS No: 956431-47-3 Catalog No: AG00IJAC MDL No:MFCD23701430
Product Description
Catalog Number:
AG00IJAC
Chemical Name:
2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
CAS Number:
956431-47-3
Molecular Formula:
C8H12Cl2N2O
Molecular Weight:
223.0997
MDL Number:
MFCD23701430
IUPAC Name:
2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
InChI:
InChI=1S/C8H10N2O.2ClH/c1-2-7-6-9-4-5-11-8(7)10-3-1;;/h1-3,9H,4-6H2;2*1H
InChI Key:
JZSSQVLDWJVGRT-UHFFFAOYSA-N
SMILES:
C1COc2c(CN1)cccn2.Cl.Cl
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.097g/mol
Monoisotopic Mass:
222.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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