| CAS Number | 1268830-74-5 |
| Catalog Number | AG00HRLJ(AGN-PC-0WQVN6) |
| Chemical Name | Methyl 3-amino-2-chloro-6-fluorobenzoate |
| IUPAC Name | methyl 3-amino-2-chloro-6-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3H,11H2,1H3 |
| InChI Key | ZQJVCISEAGMQIT-UHFFFAOYSA-N |
| MDL Number | MFCD24646162 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(C1=C(Cl)C(N)=CC=C1F)=O |
| Synonyms | methyl 3-amino-2-chloro-6-fluorobenzoate,
1268830-74-5,
SCHEMBL1437701,
ZQJVCISEAGMQIT-UHFFFAOYSA-N,
MFCD24646162,
AKOS023838946,
ZINC116174723,
CS-0038871,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.597g/mol |
| Monoisotopic Mass | 203.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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