| CAS Number | 131653-79-7 |
| Catalog Number | AG01DLW4(AGN-PC-0PJJ3R) |
| Chemical Name | (E)-5-bromo-3-(2-nitrovinyl)-1H-indole |
| IUPAC Name | 5-bromo-3-[(E)-2-nitroethenyl]-1H-indole |
| InChI | InChI=1S/C10H7BrN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H/b4-3+ |
| InChI Key | QZIAWMREHPRQEK-ONEGZZNKSA-N |
| MDL Number | MFCD00152017 |
| Molecular Formula | C10H7BrN2O2 |
| Molecular Weight | 267.0788 |
| SMILES | [O-][N+](=O)/C=C/c1c[nH]c2c1cc(Br)cc2 |
| Synonyms | 5-BROMO-3-(2-NITROVINYL)INDOLE,
5-Bromo-3-(2-nitrovinyl)-1H-indole,
25217-77-0,
B-8942,
131653-79-7,
SCHEMBL10761564,
ZINC463217,
ACM25217770,
B119872,
SR-01000260240,
SR-01000260240-1,
AC1LHKYK,
AC1Q1WJS,
AR-1G7424,
CID888996,
ZINC00463217,
5-bromo-3-[(e)-2-nitrovinyl]-1h-indole,
5-bromo-3-[(E)-2-nitroethenyl]-1H-indole,
25334-93-4,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 265.96909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.08g/mol |
| Monoisotopic Mass | 265.96909g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number