carbonic acid;3,6-dichloro-2-methoxybenzoic acid

C9H8Cl2O6 — CID 175112629

IUPACcarbonic acid;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.O=C(O)O
InChIInChI=1S/C8H6Cl2O3.CH2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;2-1(3)4/h2-3H,1H3,(H,11,12);(H2,2,3,4)
InChIKeyMCJAMCPMRZNXNZ-UHFFFAOYSA-N
MW283.06 g/mol
LogP2.92
Rot. Bonds2

About carbonic acid;3,6-dichloro-2-methoxybenzoic acid

carbonic acid;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 175112629) has the molecular formula C9H8Cl2O6 and a molecular weight of 283.06 g/mol. Its IUPAC name is carbonic acid;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

Compound Namecarbonic acid;3,6-dichloro-2-methoxybenzoic acid
PubChem CID175112629
Molecular FormulaC9H8Cl2O6
Molecular Weight283.06 g/mol
Exact Mass281.97
IUPAC Namecarbonic acid;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.O=C(O)O
InChIInChI=1S/C8H6Cl2O3.CH2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;2-1(3)4/h2-3H,1H3,(H,11,12);(H2,2,3,4)
InChIKeyMCJAMCPMRZNXNZ-UHFFFAOYSA-N
XLogP2.92
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
3,6-dichloro-2-methoxybenzoic acid;N,N-dihexylhexan-1-amine
CID 137405087
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
3-amino-2,5-dichlorobenzoic acid;3,6-dichloro-2-methoxybenzoic acid
CID 23168481
2-(2-aminoethylamino)ethanol;3,6-dichloro-2-methoxybenzoic acid
CID 51030995
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3,6-dichloro-2-methoxybenzoic acid?
The IUPAC name of carbonic acid;3,6-dichloro-2-methoxybenzoic acid (CID 175112629) is carbonic acid;3,6-dichloro-2-methoxybenzoic acid.
What is the SMILES notation for carbonic acid;3,6-dichloro-2-methoxybenzoic acid?
The canonical SMILES for carbonic acid;3,6-dichloro-2-methoxybenzoic acid is COc1c(Cl)ccc(Cl)c1C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;3,6-dichloro-2-methoxybenzoic acid?
The InChIKey is MCJAMCPMRZNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.CH2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;2-1(3)4/h2-3H,1H3,(H,11,12);(H2,2,3,4).
What are the key properties of carbonic acid;3,6-dichloro-2-methoxybenzoic acid?
carbonic acid;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 283.06 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 175112629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).