Structure

2-Fluorobiphenyl

CAS
321-60-8
Catalog Number
ACM321608
Category
Aryl
Molecular Weight
172.20
Molecular Formula
C12H9F

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Specification

Description
2-fluorobiphenyl appears as colorless crystals.
Synonyms
2-Fluoro-1,1'-biphenyl
IUPAC Name
1-fluoro-2-phenylbenzene
Canonical SMILES
C1=CC=C(C=C1)C2=CC=CC=C2F
InChI
InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChI Key
KLECYOQFQXJYBC-UHFFFAOYSA-N
Boiling Point
478 °F at 760 mm Hg (NTP, 1992);248.0 °C
Melting Point
164.3 °F (NTP, 1992);73.5 °C
Density
1.2452 at 77 °F (NTP, 1992)
Complexity
149
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
206-290-7
Exact Mass
172.0688
Formal Charge
0
Hazard Statements
H302-H318-H410
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
172.0688
NSC Number
10366
RIDADR
UN 3152PSN1 9 / PGII
Rotatable Bond Count
1
Symbol
GHS05
Topological Polar Surface Area
0 Ų
UN Number
3077
XLogP3
4
XLogP3-AA
4
What is the molecular formula of 2-fluorobiphenyl?

The molecular formula of 2-fluorobiphenyl is C12H9F.

What is the molecular weight of 2-fluorobiphenyl?

The molecular weight of 2-fluorobiphenyl is 172.20 g/mol.

What are the synonyms of 2-fluorobiphenyl?

The synonyms of 2-fluorobiphenyl are 2-Fluorobiphenyl, 321-60-8, 2-Fluoro-1,1'-biphenyl, o-Fluorodiphenyl, and 1-fluoro-2-phenylbenzene.

What is the IUPAC name of 2-fluorobiphenyl?

The IUPAC name of 2-fluorobiphenyl is 1-fluoro-2-phenylbenzene.

What is the InChI of 2-fluorobiphenyl?

The InChI of 2-fluorobiphenyl is InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H.

What is the InChIKey of 2-fluorobiphenyl?

The InChIKey of 2-fluorobiphenyl is KLECYOQFQXJYBC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-fluorobiphenyl?

The canonical SMILES of 2-fluorobiphenyl is C1=CC=C(C=C1)C2=CC=CC=C2F.

What is the CAS number of 2-fluorobiphenyl?

The CAS number of 2-fluorobiphenyl is 321-60-8.

What is the European Community (EC) number of 2-fluorobiphenyl?

The European Community (EC) number of 2-fluorobiphenyl is 206-290-7.

What is the ChEMBL ID of 2-fluorobiphenyl?

The ChEMBL ID of 2-fluorobiphenyl is CHEMBL122521.

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