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ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

CAS: 68281-43-6

Formula: C11H12ClNO3

SMILES: CCOC(=O)C1CNC2=C(O1)C=CC(Cl)=C2

IUPAC: ethyl 6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

InChI: InChI=1/C11H12ClNO3/c1-2-15-11(14)10-6-13-8-5-7(12)3-4-9(8)16-10/h3-5,10,13H,2,6H2,1H3

Composition: C (54.67%), H (5.01%), Cl (14.67%), N (5.80%), O (19.86%)

Molar Mass: 241.67

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 241.050571
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YQUPYAAIKGIVAV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.9
Topological Polar Surface Area 47.56
Polarizability 23.32
Ring Count 2
Rotatable Bond Count 3

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