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2-methyl-7-nitro-2,4-dihydro-1,4-benzoxazin-3-one

2-methyl-7-nitro-2,4-dihydro-1,4-benzoxazin-3-one

CAS: 85160-82-3

Formula: C9H8N2O4

SMILES: CC1OC2=CC(=CC=C2NC1=O)N(=O)=O

IUPAC: 2-methyl-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one

InChI: InChI=1/C9H8N2O4/c1-5-9(12)10-7-3-2-6(11(13)14)4-8(7)15-5/h2-5H,1H3,(H,10,12)

Composition: C (51.93%), H (3.87%), N (13.46%), O (30.74%)

Molar Mass: 208.173

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 208.048406746
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KBLXGQKTRWROCS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.64
Topological Polar Surface Area 84.15
Polarizability 18.98
Ring Count 2
Rotatable Bond Count 1

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