1,8-Dibromopyrene

CAT: 0127-OR94903-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94903-01Size:100 mg

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CAS Number

38303-35-4

MDL Number

MFCD00230868

Purity

97%

Smiles

BrC1=C2C=CC(C3=C42)=C(Br)C=CC3=CC=C4C=C1

Chemical Information

1,8-Dibromopyrene

CAS Number	38303-35-4
PubChem CID	181577
IUPAC Name	1,8-dibromopyrene
Molecular Formula	C16H8Br2
Molecular Weight	360.04
XLogP	6.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	297

SMILES

C1=CC2=C3C(=C(C=C2)Br)C=CC4=C(C=CC1=C43)Br

InChI

InChI=1S/C16H8Br2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H

InChIKey

JBLQSCAVCHTKPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38303-35-4

CID: 181577

Formula: C16H8Br2

MW: 360.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.04
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	359.89723
Monoisotopic Mass	357.89928
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	297
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
OR53108-01	1,6-Dibromopyrene
OR74231-01	2,7-Dibromopyrene
OR1002041-01	1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane
BUP22983-01	αVβ8-IN-1
BUP00749-01	TLR7/8-IN-1
OR80387-01	1,8-Diiodooctane
OR1009297-01	1,8-Phenylacidsodiumsalt
OR80670-01	1,8-Naphthalimide
OR10106-01	1,8-Diaminooctane
OR1077939	1,8-Diacetoxyoctane

Catalog	Name
FD62827-01	1,6-Dibromopyrene
TRC-D426425-100MG	2,7-Dibromopyrene
EYB64968-01	2,7-Dibromopyrene-4,5,9,10-tetraone
HY-W032015S2	1-Bromooctane-8,8,8-d3
AQ A2 0033-01	1,8-diphenyloctane-1,8-dione
JH917481	1--8-
HY-N2777	8-Hydroxyhyperforin 8,1-hemiacetal
CHR1835	Kinesis Ferrule 1/8 Graphite 1/8
sc-273508	[1,1']Binaphthalenyl-8,8'-dicarboxylic acid
P-802	Connector Barbed 1/8 x 1/8