chempirical

8-Bromoquinoline-4-carboxylic acid

C10H6BrNO2CAS 121490-67-3252.07 g/mol

Open in Covalent MOL file
NBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H6BrNO2
Molar mass
252.07 g/mol
Exact mass
250.9582 Da
logP
2.70Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
121490-67-3
SMILES
C1=CC2=C(C=CN=C2C(=C1)Br)C(=O)O
InChIKey
HLEBPQHZLBSIJC-UHFFFAOYSA-N
InChI
InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14)

Weigh it out

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

Work with 8-Bromoquinoline-4-carboxylic acid

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-Quinolinecarboxylic acid486-74-858 % similar 3-Bromoisonicotinic acid13959-02-951 % similar 2-Bromobenzoic acid88-65-350 % similar 3-Bromo-2-chlorobenzoic acid56961-27-449 % similar 1,4-Naphthalenedicarboxylic acid605-70-949 % similar 3-Bromo-2-fluorobenzoic acid161957-56-848 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-348 % similar 2-Amino-3-bromobenzoic acid20776-51-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4-Bromophenyl)maleimide13380-67-1

Elsewhere

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