Benzo[j]fluoranthene

CAT: 0127-OR1078647-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1078647-01Size:100 mg

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CAS Number

205-82-3

Synonyms

10,11-Benzofluoranthene / Benzo-12,13-fluoranthene / Dibenzo[a, jk]fluorene

MDL Number

MFCD00152264

Purity

>98.0%

Smiles

C1=CC=C2C (=C1) C=CC3=C2C4=CC=CC5=C4C3=CC=C5

Chemical Information

Benzo(J)Fluoranthene

Benzo[j]fluoranthene can cause cancer according to an independent committee of scientific and health experts.

CAS Number	205-82-3
PubChem CID	9152
IUPAC Name	pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
Molecular Formula	C20H12
Molecular Weight	252.3
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	20
Formal Charge	0
Complexity	372

SMILES

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5

InChI

InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H

InChIKey

KHNYNFUTFKJLDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 205-82-3

CID: 9152

Formula: C20H12

MW: 252.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.3
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	252.093900383
Monoisotopic Mass	252.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	372
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
OR80920-01	Benzo[k]fluoranthene
OR1004968	Fluoranthene
OR1010928-01	3-Bromo-7,12-Diphenylbenzo[k]Fluoranthene
OR1077312-01	9-Bromo-7,12-diphenylbenzo[k]fluoranthene
OR1025571-01	Benzo[A]Pyrene
OR1078639-01	Benzo[a]aceanthrylene
BUP15657-01	Benzo[a]pyrene
BUP04419-01	Monacolin J
BITP2070	APO-J
BUP13417-01	J-147

Catalog	Name
TRC-B205690-25MG	Benzo[j]fluoranthene
S-450	Benzo (j) fluoranthene
442340	Benzo[j]fluoranthene-D12
sc-233942	Benzo[a]fluoranthene
HY-23498	Benzo[k]fluoranthene
sc-239303	Benzo[b]fluoranthene
B7770	Benzo[a]Fluoranthene Solution
442338-01	Benzo[ghi]fluoranthene
S-435	Benzo (b) fluoranthene
162784	Benzo[k]fluoranthene-13C6