2-(B-Chloroethyl)-2,3-Dihydro-4-Oxo-6-Amino-1,3-Benzoxazine

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Properties Simple | Detailed

Formula C10H11ClN2O2
IUPAC Name (2r)-6-amino-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
Molecular Mass 226.660 g·mol−1
Heat of Formation -296.3 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 248.71 Å 3
Surface Area 237.72 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey PCYLDXMXEPSXFW-SECBINFHSA-N
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Elements H C N O Cl