| CAS Number | 214470-59-4 |
| Catalog Number | AG00I45C(AGN-PC-03Y96A) |
| Chemical Name | Methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate |
| IUPAC Name | methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate |
| InChI | InChI=1S/C12H16ClNO4/c1-16-10-6-8(12(15)17-2)9(14)7-11(10)18-5-3-4-13/h6-7H,3-5,14H2,1-2H3 |
| InChI Key | MWAMTEYWDWYKQO-UHFFFAOYSA-N |
| MDL Number | MFCD20266170 |
| Molecular Formula | C12H16ClNO4 |
| Molecular Weight | 273.7127 |
| SMILES | COC(=O)c1cc(OC)c(OCCCCl)cc1N |
| Synonyms | 214470-59-4,
methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate,
Benzoic acid, 2-amino-4-(3-chloropropoxy)-5-methoxy-, methyl ester,
2-aMino-4-(3-chloropropoxy)-5-Methoxybenzoate,
methyl 5-methoxy-4-(3-chloropropoxy)anthranilate,
2-Amino-4-(3-chloro-propoxy)-5-methoxy-benzoic acid methyl ester,
SCHEMBL1011427,
MWAMTEYWDWYKQO-UHFFFAOYSA-N,
EBD280060,
MFCD20266170,
AKOS030525448,
CS-0061903,
methyl 5-methoxy-4-(3-chloropropoxy)-anthranilate,
methyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate;,
2-Amino-4-(3-chloropropoxy)-5-methoxybenzoic acid methyl ester,
2-Amino-4-(3-chloro-propoxy)-5-methoxy-benzoic acid methyl ester;,
2-amino-4-(3-chloropropoxy)-5-methoxy-benzoic acid methyl ester;,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.713g/mol |
| Monoisotopic Mass | 273.077g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number