2,2'-Dibromodiphenylacetylene

CAT: 0926-FD66739-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FD66739-01Size:2 g

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CAS Number

38399-13-2

Synonyms

Bis (2-bromophenyl) ethyne

MDL Number

MFCD00238712

Smiles

C1=CC=C (C (=C1) C#CC2=CC=CC=C2Br) Br

Molecular Formula

C14H8Br2

Molecular Weight

336.02 g/mol

Controlled

Chemical Information

1-Bromo-2-[2-(2-bromophenyl)ethynyl]benzene

CAS Number	38399-13-2
PubChem CID	346617
IUPAC Name	1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene
Molecular Formula	C14H8Br2
Molecular Weight	336.02
XLogP	5.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	260

SMILES

C1=CC=C(C(=C1)C#CC2=CC=CC=C2Br)Br

InChI

InChI=1S/C14H8Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H

InChIKey

RVGSIXSCGKMAOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38399-13-2

CID: 346617

Formula: C14H8Br2

MW: 336.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.02
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	335.89723
Monoisotopic Mass	333.89928
Topological Polar Surface Area	0 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
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FT78199-01	2,2,2-Trifluoroethanethiol
FT46948-01	2,2,2-Trifluoroacetamide

Catalog	Name
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