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CAS Number: 28478-47-9
methyl 5-chloro-4-hydroxy-2-methoxybenzoate

Structure

 methyl 5-chloro-4-hydroxy-2-methoxybenzoate
Name: methyl 5-chloro-4-hydroxy-2-methoxybenzoate
Synonyms:
General Information
Product Number: 28478479

CAS Registry Number 28478-47-9
Name:
Benzoic acid, 5-?chloro-?4-?hydroxy-?2-?methoxy-?, methyl ester
o-Anisic acid, 5-chloro-4-hydroxy-, methyl ester (8CI)
Methyl 5-chloro-4-hydroxy-2-methoxybenzoate

 

Chemical Formula: C9H9ClO4
Exact Mass: 216.02
Molecular Weight: 216.62
m/z: 216.02 (100.0%), 218.02 (32.8%), 217.02 (9.9%), 219.02 (3.2%)

 

InChI:InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1

InChI Key:PBCZSGKMGDDXIJ-HQCWYSJUSA-N

Canonical SMILES:CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC

Specification

98%
References
  1. (1) Prat Quinones, Maria; EP 2386555 A1 2011 CAPLUS
  2. (2) Prat Quinones, Maria; WO 2011141180 A1 2011 CAPLUS
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