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2-Amino-5-chloro-3-methoxybenzoate

HCID 86607239
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cc(Cl)cc(C(=O)[O-])c1N
InChIKey
RBTMYPGXTXTKBM-UHFFFAOYSA-M
Molecular formula
C8H7ClNO3-
Average molar mass
200.6 g/mol

Names & identifiers

Preferred name
2-Amino-5-chloro-3-methoxybenzoate
IUPAC
2-amino-5-chloro-3-methoxybenzoate

Names & synonyms

RBTMYPGXTXTKBM-UHFFFAOYSA-M2-amino-5-chloro-3-methoxybenzoate

Database identifiers

PubChem CID
86607239

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
75.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Formal charge
-1
Complexity
194

Related reactions

3 records
New reaction record
HRID 506291 reaction equation
HRID 506291As reactantuspto-grants-2010_08
HRID 969879 reaction equation
HRID 969879As reactantuspto-grants-2007_12
HRID 2325024 reaction equation
HRID 2325024As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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