chempirical

tert-Butyl 4-bromomethylbiphenyl-2-carboxylate

C18H19BrO2CAS 114772-40-6347.25 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C18H19BrO2
Molar mass
347.25 g/mol
Exact mass
346.0568 Da
logP
5.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
114772-40-6
SMILES
CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1
InChIKey
YHXCWNQNVMAENQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H19BrO2/c1-18(2,3)21-17(20)16-7-5-4-6-15(16)14-10-8-13(12-19)9-11-14/h4-11H,12H2,1-3H3

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Names and synonyms

14 names · show all
  • [1,1′-Biphenyl]-2-carboxylic acid, 4′-(bromomethyl)-, 1,1-dimethylethyl ester
  • 4′-(Bromomethyl)-2-(tert-butoxycarbonyl)biphenyl
  • tert-Butyl 4′-(bromomethyl)biphenyl-2-carboxylate
  • 4-(Bromomethyl)-2′-(tert-butoxycarbonyl)biphenyl
  • 1,1-Dimethylethyl 4′-(bromomethyl)biphenyl-2-carboxylate
  • tert-Butyl 4-(bromomethyl)biphenyl-2′-carboxylate
  • 4′-(Bromomethyl)biphenyl-2-carboxylic acid tert-butyl ester
  • 4′-(Bromomethyl)[1,1′-biphenyl]-2-carboxylic acid 1,1-dimethylethyl ester
  • tert-Butyl 2-(4-bromomethylphenyl)benzoate
  • 2′-(tert-Butoxylcarbonyl)biphenyl-4-ylmethyl bromide
  • 4′-Bromomethyl[1,1′-biphenyl]-2-carboxylic acid tert-butyl ester
  • 4′-Bromomethylbiphenyl-2-carboxylic Acid tert-Butyl Ester
  • 2-(4-Bromomethylphenyl)benzoic acid tert-butyl ester
  • 2-Boc-4′-(Bromomethyl)biphenyl

Work with tert-Butyl 4-bromomethylbiphenyl-2-carboxylate

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

Methyl 4′-(bromomethyl)biphenyl-2-carboxylate114772-38-270 % similar tert-Butyl 4'-methylbiphenyl-2-carboxylate114772-36-067 % similar tert-Butyl 4-(bromomethyl)benzoate108052-76-262 % similar Methyl 4′-methylbiphenyl-2-carboxylate114772-34-844 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-042 % similar Methyl 4-(bromomethyl)benzoate2417-72-341 % similar 4-(Bromomethyl)-2′-cyanobiphenyl114772-54-240 % similar Ethyl 4-bromomethylbenzoate26496-94-640 % similar

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

Elsewhere

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