| CAS Number | 1131615-02-5 |
| Catalog Number | AG00HCNO(AGN-PC-0WD2BW) |
| Chemical Name | Methyl 3-bromo-4-(methylamino)benzoate |
| IUPAC Name | methyl 3-bromo-4-(methylamino)benzoate |
| InChI | InChI=1S/C9H10BrNO2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,1-2H3 |
| InChI Key | NHAHWTQXZAIUHA-UHFFFAOYSA-N |
| MDL Number | MFCD11110863 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | CNC1=C(Br)C=C(C(OC)=O)C=C1 |
| Synonyms | methyl 3-bromo-4-(methylamino)benzoate,
1131615-02-5,
Methyl 3-bromo-4-(methylamino) benzoate,
CTK8E2194,
DTXSID80661077,
MFCD11110863,
ZINC39951871,
AKOS015850944,
FCH1402746,
SC-70192,
methyl 3-bromanyl-4-(methylamino)benzoate,
AJ-100951,
AX8255414,
DB-060461,
TC-067206,
FT-0653808,
3-bromo-4-(methylamino)benzoic acid methyl ester,
A802944,
I14-5547,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number