| CAS Number | 817209-21-5 |
| Catalog Number | AG00G7T0(AGN-PC-0OILEP) |
| Chemical Name | 1-(2-Amino-5-bromo-4-methylphenyl)ethanone |
| IUPAC Name | 1-(2-amino-5-bromo-4-methylphenyl)ethanone |
| InChI | InChI=1S/C9H10BrNO/c1-5-3-9(11)7(6(2)12)4-8(5)10/h3-4H,11H2,1-2H3 |
| InChI Key | QLKDROCPSWLPCY-UHFFFAOYSA-N |
| MDL Number | MFCD27929196 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CC(C1=C(N)C=C(C)C(Br)=C1)=O |
| Synonyms | 817209-21-5,
1-(2-amino-5-bromo-4-methylphenyl)ethanone,
1-(2-amino-5-bromo-4-methylphenyl)ethan-1-one,
Ethanone, 1-(2-amino-5-bromo-4-methylphenyl)-,
Ethanone, 1-(2-amino-5-bromo-4-methylphenyl)- (9CI),
SCHEMBL15103179,
QLKDROCPSWLPCY-UHFFFAOYSA-N,
3997AJ,
MFCD27929196,
ZINC39111057,
FCH2498894,
AX8277001,
Ethanone,1-(2-amino-5-bromo-4-methylphenyl)-,
Ethanone,1- -,
C9H10BrNO,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^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