2-Bromocarbazole

C12H8BrNCAS 3652-90-2246.11 g/mol

Open in Covalent MOL file
BrNH
Aryl halide

Properties

Molecular formula
C12H8BrN
Molar mass
246.11 g/mol
Exact mass
244.9840 Da
Melting point
250–251 °C
logP
4.08Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3652-90-2
SMILES
Brc1ccc2c(c1)[nH]c1ccccc12
InChIKey
PJRGCJBBXGNEGD-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H

Weigh it out

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

Names and synonyms

3 names
  • 9H-Carbazole, 2-bromo-
  • Carbazole, 2-bromo-
  • 2-Bromo-9H-carbazole

Work with 2-Bromocarbazole

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

2,7-Dibromo-9H-carbazole136630-39-279 % similar 2-Hydroxycarbazole86-79-360 % similar 5,7-Dihydroindolo(2,3-b)carbazole111296-90-359 % similar 3,6-Dibromocarbazole6825-20-359 % similar Carbazole86-74-858 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-656 % similar 2,7-Dibromotriphenylene888041-37-056 % similar 2-Chloro-9H-carbazole10537-08-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromocarbazole1592-95-6 1-Bromo-9H-carbazole16807-11-7 4-Bromo-9H-carbazole3652-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook