| CAS Number | 21248-00-0 |
| Catalog Number | AG00BNWH(AGN-PC-0JKLF0) |
| Chemical Name | 6-Bromobenzo{a}pyrene |
| IUPAC Name | 6-bromobenzo[a]pyrene |
| InChI | InChI=1S/C20H11Br/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H |
| InChI Key | MJSYSGSEEADMTK-UHFFFAOYSA-N |
| MDL Number | MFCD01662875 |
| Molecular Formula | C20H11Br |
| Molecular Weight | 331.2053 |
| SMILES | BrC1=C2C=CC=CC2=C3C4=C1C=CC5=C4C(C=C3)=CC=C5 |
| UNII | 7I5Z76T77D |
| Synonyms | 6-bromobenzo(a)pyrene,
6-BROMOBENZO(A)PYRENE,
6-bromobenzo[a]pyrene,
HSDB 1983,
Benzo(a)pyrene, 6-bromo-,
UNII-7I5Z76T77D,
21248-00-0,
7I5Z76T77D,
BRN 2464085,
AC1L1JS1,
SCHEMBL12014663,
CTK3I9081,
DTXSID90175493,
ZINC95842471,
ACM21248000,
LS-39935,
6-bromobenzo pyrene,
CID30545,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.212g/mol |
| Monoisotopic Mass | 330.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number