4-Bromo-7-methylisatin

C₉H₆BrNO₂CAS 874375-17-4240.06 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₉H₆BrNO₂
Molar mass: 240.06 g/mol
Exact mass: 238.9582 Da
logP: 1.89Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

874375-17-4

SMILES

CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2

InChIKey

VYPAAYCDBZXFOI-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)

Weigh it out

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

Names and synonyms

1 names

4-Bromo-7-methyl-2,3-dihydro-1H-indole-2,3-dione

Work with 4-Bromo-7-methylisatin

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

4-Bromoisatin20780-72-753 % similar 7-Methylisatin1127-59-951 % similar 7-Bromoisatin20780-74-949 % similar 5,7-Dimethyl-2,3-dihydro-1H-indole-2,3-dione39603-24-243 % similar 4,7-Dichloroisatin18711-13-243 % similar 5-Chloro-7-methylisatin14389-06-141 % similar [(2,6-Dimethylphenyl)amino](oxo)acetic acid2903-48-240 % similar 2-Bromo-6-methylbenzoic acid90259-31-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1H-indole-3-carboxylic acid10406-06-1 4-Bromo-5-methyl-2,3-indolinedione147149-84-6 6-Bromo-1H-indole-2-carboxylic acid16732-65-3 N-(Bromomethyl)phthalimide5332-26-3 6-Bromo-4-hydroxyquinolin-2(1H)-one54675-23-9 5-Bromo-1H-indole-2-carboxylic acid7254-19-5

Elsewhere

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