CC1(C2=C(C=CC(=C2)Br)NC(=O)O1)C
CAS: 21440-97-1
Name: 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
SMILES: CC1(C2=C(C=CC(=C2)Br)NC(=O)O1)C

Molecular Processing

Molecular formula
C10H10BrNO2
Molecular weight
256.1
Exact mass
254.9895
XLogP
3.25
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
57.27

Supplementary Information

InChIKey: JRXGULDSFFLUAO-UHFFFAOYSA-N
Synonyme
Brofoxine21440-97-1Brofoxina2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro-4,4-dimethyl-6-Bromo-1,4-dihydro-4,4-dimethyl-2H-3,1-benzoxazin-2-oneBrofoxinumDTXSID4057685FI-6820F.I. 68206P1O8U403TF.I.-6820DTXCID5031474RefChem:570244244-389-76-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one6-BROMO-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONEMFCD00866701Dimethabrone6-bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one6-Bromo-4,4-dimethyl-1,4-dihydrobenzo-[d][1,3]oxazin-2-oneBrofossina [DCIT]Brofoxine [USAN:INN]Brofoxinum [INN-Latin]Brofoxina [INN-Spanish]6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-oneBrofossina6-bromo-4,4-dimethyl-2,4-dihydro-1H-3,1-benzoxazin-2-oneEINECS 244-389-7FI 6820
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