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6-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazine

6-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazine

CAS: 1203499-17-5

Formula: C7H7BrN2O

SMILES: BrC1=CC=C2NCCOC2=N1

IUPAC: 6-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazine

InChI: InChI=1S/C7H7BrN2O/c8-6-2-1-5-7(10-6)11-4-3-9-5/h1-2,9H,3-4H2

Composition: C (39.10%), H (3.28%), Br (37.16%), N (13.03%), O (7.44%)

Molar Mass: 215.05

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.974176
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DEJOAAGYYDCSGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.37
Topological Polar Surface Area 34.15
Polarizability 17.19
Ring Count 2
Rotatable Bond Count 0

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