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Structure

2-Bromo-9,9-diphenylfluorene

CAS
474918-32-6
Catalog Number
ACM474918326-2
Category
Other
Molecular Weight
397.3
Molecular Formula
C25H17Br

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Specification

Synonyms
2-bromo-9,9-diphenylfluorene;2-bromo-9,9-diphenyl-fluororene;2-Bromo-9,5-diphenylfluorene;2--9,9--;2-Dibromo-9,9-diphenylfluorene
IUPAC Name
2-bromo-9,9-diphenylfluorene
Canonical SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChI Key
WNXNWOBGPRKOJF-UHFFFAOYSA-N
Boiling Point
217.0 - 221.0 °C
Melting Point
480.5 ± 24.0 °C
Density
1.363 ± 0.06 g/ml
Complexity
455
Covalently-Bonded Unit Count
1
Exact Mass
396.05136g/mol
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
26
Monoisotopic Mass
396.05136g/mol
Rotatable Bond Count
2
XLogP3
7.4
What is the molecular formula of 2-Bromo-9,9-diphenylfluorene?

The molecular formula of 2-Bromo-9,9-diphenylfluorene is C25H17Br.

What is the molecular weight of 2-Bromo-9,9-diphenylfluorene?

The molecular weight of 2-Bromo-9,9-diphenylfluorene is 397.3 g/mol.

When was 2-Bromo-9,9-diphenylfluorene created?

2-Bromo-9,9-diphenylfluorene was created on September 1, 2010.

What is the InChI of 2-Bromo-9,9-diphenylfluorene?

The InChI of 2-Bromo-9,9-diphenylfluorene is InChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H.

What is the Canonical SMILES of 2-Bromo-9,9-diphenylfluorene?

The Canonical SMILES of 2-Bromo-9,9-diphenylfluorene is C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)Br)C5=CC=CC=C5.

What is the CAS number of 2-Bromo-9,9-diphenylfluorene?

The CAS number of 2-Bromo-9,9-diphenylfluorene is 474918-32-6.

What is the XLogP3-AA value of 2-Bromo-9,9-diphenylfluorene?

The XLogP3-AA value of 2-Bromo-9,9-diphenylfluorene is 7.4.

How many rotatable bonds are present in 2-Bromo-9,9-diphenylfluorene?

There are 2 rotatable bonds present in 2-Bromo-9,9-diphenylfluorene.

What is the topological polar surface area of 2-Bromo-9,9-diphenylfluorene?

The topological polar surface area of 2-Bromo-9,9-diphenylfluorene is 0Ų.

Is 2-Bromo-9,9-diphenylfluorene a canonicalized compound?

Yes, 2-Bromo-9,9-diphenylfluorene is a canonicalized compound.

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