| CAS Number | 1089281-86-6 |
| Catalog Number | AG003MJI(AGN-PC-0CXYB2) |
| Chemical Name | 5-BROMO-4-METHYL-2-NITROANISOLE |
| IUPAC Name | 1-bromo-5-methoxy-2-methyl-4-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3 |
| InChI Key | RSQRVVVHNGPSGG-UHFFFAOYSA-N |
| MDL Number | MFCD20482626 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | COC1=CC(Br)=C(C)C=C1[N+]([O-])=O |
| Synonyms | 5-Bromo-4-methyl-2-nitroanisole,
1089281-86-6,
1-bromo-5-methoxy-2-methyl-4-nitrobenzene,
SCHEMBL310970,
RSQRVVVHNGPSGG-UHFFFAOYSA-N,
KS-00000EO9,
6349AJ,
MFCD20482626,
ZINC96025005,
AKOS024258095,
FCH2485372,
AS-32470,
DA-15735,
SY026344,
5-bromo-4-methyl-2-nitrophenyl methyl ether,
FT-0731705,
Z-3648,
1-bromo-2-methyl-5-(methyloxy)-4-nitrobenzene,
MFCD20482626 (97+%),
C8H8BrNO3,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number