CID 170844573

C8H10Cl2NaO2 — CID 170844573

IUPAC—
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)O.[Na]
InChIInChI=1S/C8H10Cl2O2.Na/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);
InChIKeyZRHHJOJWSBLJHE-UHFFFAOYSA-N
MW232.06 g/mol
LogP2.28
Rot. Bonds2

About CID 170844573

CID 170844573 (PubChem CID 170844573) has the molecular formula C8H10Cl2NaO2 and a molecular weight of 232.06 g/mol.

Molecular Properties

Compound NameCID 170844573
PubChem CID170844573
Molecular FormulaC8H10Cl2NaO2
Molecular Weight232.06 g/mol
Exact Mass231.00
IUPAC Name—
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)O.[Na]
InChIInChI=1S/C8H10Cl2O2.Na/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);
InChIKeyZRHHJOJWSBLJHE-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(2,4,4-trichlorobuta-1,3-dienyl)cyclopropane-1-carboxylic acid
CID 54466422
3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 14770506
3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride
CID 173434847
cis-(1R,3S)-3-[(E)-2-chloro-2-methylsulfanylethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 22817243
(1S,3S)-2,2-dimethyl-3-(2,3,3,3-tetrachloroprop-1-enyl)cyclopropane-1-carboxylic acid
CID 173397497
trans-(1R,3R)-3-[(E)-2-chloro-2-methylsulfanylethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 22817240
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
cis-(1S,3S)-3-(2,2-diaminoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141128564
cis-(1S,3R)-3-(2,3-dichloro-3,3-difluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 86737384
sodium cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 158637664
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 175320381

Frequently Asked Questions

What is the IUPAC name of CID 170844573?
The IUPAC name of CID 170844573 (CID 170844573) is not available.
What is the SMILES notation for CID 170844573?
The canonical SMILES for CID 170844573 is CC1(C)C(C=C(Cl)Cl)C1C(=O)O.[Na].
What is the InChIKey of CID 170844573?
The InChIKey is ZRHHJOJWSBLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2.Na/c1-8(2)4(3-5(9)10)6(8)7(11)12;/h3-4,6H,1-2H3,(H,11,12);.
What are the key properties of CID 170844573?
CID 170844573 has a molecular weight of 232.06 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170844573 is sourced from PubChem (CID 170844573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).