3- (Bromomethyl) perylene

CAT: 0127-OR1071493-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071493-01Size:50 mg

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CAS Number

1160604-36-3

Purity

95%

Smiles

BrCC(C1=CC=CC2=C31)=CC=C3C4=CC=CC5=C4C2=CC=C5

Chemical Information

3-(Bromomethyl)perylene

CAS Number	1160604-36-3
PubChem CID	129706215
IUPAC Name	3-(bromomethyl)perylene
Molecular Formula	C21H13Br
Molecular Weight	345.2
XLogP	6.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	418

SMILES

C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)CBr)C=CC=C5C3=CC=C2

InChI

InChI=1S/C21H13Br/c22-12-14-10-11-19-17-8-2-5-13-4-1-7-16(20(13)17)18-9-3-6-15(14)21(18)19/h1-11H,12H2

InChIKey

VZBRXHUYHZNMKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1160604-36-3

CID: 129706215

Formula: C21H13Br

MW: 345.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.2
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	344.02006
Monoisotopic Mass	344.02006
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	418
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
BIPG2410-01	3-Ethynyl perylene
OR1014604-01	Perylene
DE2109	Perylene-D12
OR1072574-01	Perylene-3,9-dicarboxylic acid
OR80637-01	Diisobutyl perylene-3,9-dicarboxylate
OR79610-01	Benzo[ghi]perylene
OR59423-01	3- (Bromomethyl) pentane
OR317135	3- (Bromomethyl) cyclobutanone
OR9974-01	3- (Bromomethyl) benzonitrile
OR1010687-01	3- (Bromomethyl) Benzamide