Brofoxine

C₁₀H₁₀BrNO₂CAS 21440-97-1256.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀BrNO₂
Molar mass: 256.10 g/mol
Exact mass: 254.9895 Da
Melting point: 203–205 °C
logP: 3.26Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

21440-97-1

SMILES

CC1(C)OC(O)=Nc2ccc(Br)cc21

InChIKey

JRXGULDSFFLUAO-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2H-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-one
FI 6820
6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
6-Bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one

Work with Brofoxine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4,5-dimethoxyphenylacetonitrile51655-39-1

Elsewhere

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