2,3-dihydro-1H-indene;hypobromous acid

C9H11BrO — CID 174544280

IUPAC2,3-dihydro-1H-indene;hypobromous acid
SMILESOBr.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.BrHO/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-2,4-5H,3,6-7H2;2H
InChIKeyBWNKIWDLWDDMGZ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.46
Rot. Bonds

About 2,3-dihydro-1H-indene;hypobromous acid

2,3-dihydro-1H-indene;hypobromous acid (PubChem CID 174544280) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;hypobromous acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;hypobromous acid
PubChem CID174544280
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2,3-dihydro-1H-indene;hypobromous acid
SMILESOBr.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.BrHO/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-2,4-5H,3,6-7H2;2H
InChIKeyBWNKIWDLWDDMGZ-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
1,2,3,4-tetrahydronaphthalene
CID 174531863
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
2,3-dihydro-1H-indene;formaldehyde;trifluoroborane;hydrofluoride
CID 174984181
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-33,34,35,36-tetrol
CID 14976551
bis(cyclopenta-1,3-diene);2,3-dihydro-1H-indene;zirconium(2+)
CID 159786889
pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
CID 12582397

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;hypobromous acid?
The IUPAC name of 2,3-dihydro-1H-indene;hypobromous acid (CID 174544280) is 2,3-dihydro-1H-indene;hypobromous acid.
What is the SMILES notation for 2,3-dihydro-1H-indene;hypobromous acid?
The canonical SMILES for 2,3-dihydro-1H-indene;hypobromous acid is OBr.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;hypobromous acid?
The InChIKey is BWNKIWDLWDDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.BrHO/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-2,4-5H,3,6-7H2;2H.
What are the key properties of 2,3-dihydro-1H-indene;hypobromous acid?
2,3-dihydro-1H-indene;hypobromous acid has a molecular weight of 215.09 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;hypobromous acid is sourced from PubChem (CID 174544280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).