| CAS Number | 104253-45-4 |
| Catalog Number | AG007I7Q(AGN-PC-00MT5A) |
| Chemical Name | Benzoic acid,2-chloro-4-methoxy-, methyl ester |
| IUPAC Name | methyl 2-chloro-4-methoxybenzoate |
| InChI | InChI=1S/C9H9ClO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3 |
| InChI Key | VXORHTLUPYQIFE-UHFFFAOYSA-N |
| MDL Number | MFCD06797822 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | C(=O)(OC)c1c(Cl)cc(cc1)OC |
| Synonyms | METHYL 2-CHLORO-4-METHOXYBENZOATE,
104253-45-4,
Benzoic acid,2-chloro-4-methoxy-, methyl ester,
ACMC-1BUW3,
SCHEMBL1180038,
CTK4A2885,
DTXSID60542279,
VXORHTLUPYQIFE-UHFFFAOYSA-N,
7383AH,
ZINC34071229,
AKOS015909417,
SC-62111,
2-chloro-4-methoxy-benzoic acid methyl ester,
A1-00240,
BENZOIC ACID,2-CHLORO-4-METHOXY-,METHYL ESTER,
I14-34040,
C9H9ClO3,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number