| CAS Number | 176750-70-2 |
| Catalog Number | AG00ANYQ(AGN-PC-0025SZ) |
| Chemical Name | Benzoic acid, 2-chloro-6-hydroxy-, methyl ester |
| IUPAC Name | methyl 2-chloro-6-hydroxybenzoate |
| InChI | InChI=1S/C8H7ClO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,1H3 |
| InChI Key | MJCVQYOLCAQONS-UHFFFAOYSA-N |
| MDL Number | MFCD15523524 |
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.5924 |
| SMILES | C(=O)(OC)c1c(Cl)cccc1O |
| Synonyms | METHYL 2-CHLORO-6-HYDROXYBENZOATE,
176750-70-2,
2-chloro-6-hydroxy-benzoic acid methyl ester,
SCHEMBL8564502,
MFCD15523524,
ZINC34347114,
AKOS027425748,
AS-19839,
SC-57796,
AB0042409,
FT-0752675,
Z0281,
Q-7956,
BENZOIC ACID,2-CHLORO-6-HYDROXY-,METHYL ESTER,
C8H7ClO3,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.591g/mol |
| Monoisotopic Mass | 186.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number