| CAS Number | 286377-20-6 |
| Catalog Number | AG00ISD8(AGN-PC-0WAZI3) |
| Chemical Name | Methyl 4-amino-5-bromo-2-hydroxybenzoate |
| IUPAC Name | methyl 4-amino-5-bromo-2-hydroxybenzoate |
| InChI | InChI=1S/C8H8BrNO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,10H2,1H3 |
| InChI Key | DSIRIUPZPQOYRY-UHFFFAOYSA-N |
| MDL Number | MFCD16710276 |
| Molecular Formula | C8H8BrNO3 |
| Molecular Weight | 246.0580 |
| SMILES | O=C(OC)C1=CC(Br)=C(N)C=C1O |
| Synonyms | Methyl 4-amino-5-bromo-2-hydroxybenzoate,
286377-20-6,
CTK6I9008,
ZX-AT013890,
MFCD16710276,
ZINC52507938,
AKOS005765954,
FCH1347026,
FE-0772,
MCULE-9690813595,
OR40406,
RP14024,
KS-0000253X,
AK521114,
5-Amino-4-bromo-2-(methoxycarbonyl)phenol,
TR-071413,
2-Bromo-5-hydroxy-4-(methoxycarbonyl)aniline,
|
| Complexity | 200 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.06g/mol |
| Monoisotopic Mass | 244.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number