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162045-31-0 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-1-(4-piperidinyl)-, hydrochloride (1:1)
CAS No: 162045-31-0 Catalog No: AG001SOA MDL No:MFCD09999158
Product Description
Catalog Number:
AG001SOA
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-1-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
162045-31-0
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
MDL Number:
MFCD09999158
IUPAC Name:
1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride
InChI:
InChI=1S/C13H16N2O2.ClH/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13;/h1-4,11,14H,5-9H2;1H
InChI Key:
KLZHMTYGKHMRBO-UHFFFAOYSA-N
SMILES:
O=C1OCc2c(N1C1CCNCC1)cccc2.Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.741g/mol
Monoisotopic Mass:
268.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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