chlorobenzene;2,3-dihydroxypropanoic acid

C9H11ClO4 — CID 157209951

IUPACchlorobenzene;2,3-dihydroxypropanoic acid
SMILESClc1ccccc1.O=C(O)C(O)CO
InChIInChI=1S/C6H5Cl.C3H6O4/c7-6-4-2-1-3-5-6;4-1-2(5)3(6)7/h1-5H;2,4-5H,1H2,(H,6,7)
InChIKeyARTWCOTZCGMIEA-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.76
Rot. Bonds2

About chlorobenzene;2,3-dihydroxypropanoic acid

chlorobenzene;2,3-dihydroxypropanoic acid (PubChem CID 157209951) has the molecular formula C9H11ClO4 and a molecular weight of 218.64 g/mol. Its IUPAC name is chlorobenzene;2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Namechlorobenzene;2,3-dihydroxypropanoic acid
PubChem CID157209951
Molecular FormulaC9H11ClO4
Molecular Weight218.64 g/mol
Exact Mass218.03
IUPAC Namechlorobenzene;2,3-dihydroxypropanoic acid
SMILESClc1ccccc1.O=C(O)C(O)CO
InChIInChI=1S/C6H5Cl.C3H6O4/c7-6-4-2-1-3-5-6;4-1-2(5)3(6)7/h1-5H;2,4-5H,1H2,(H,6,7)
InChIKeyARTWCOTZCGMIEA-UHFFFAOYSA-N
XLogP0.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxypropanoic acid
CID 175601105
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
sodium;2,3-dihydroxypropanoic acid;hydride;1-phenylbutan-2-one
CID 174800700
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
benzene;chlorobenzene
CID 159657667

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;2,3-dihydroxypropanoic acid?
The IUPAC name of chlorobenzene;2,3-dihydroxypropanoic acid (CID 157209951) is chlorobenzene;2,3-dihydroxypropanoic acid.
What is the SMILES notation for chlorobenzene;2,3-dihydroxypropanoic acid?
The canonical SMILES for chlorobenzene;2,3-dihydroxypropanoic acid is Clc1ccccc1.O=C(O)C(O)CO.
What is the InChIKey of chlorobenzene;2,3-dihydroxypropanoic acid?
The InChIKey is ARTWCOTZCGMIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C3H6O4/c7-6-4-2-1-3-5-6;4-1-2(5)3(6)7/h1-5H;2,4-5H,1H2,(H,6,7).
What are the key properties of chlorobenzene;2,3-dihydroxypropanoic acid?
chlorobenzene;2,3-dihydroxypropanoic acid has a molecular weight of 218.64 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;2,3-dihydroxypropanoic acid is sourced from PubChem (CID 157209951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).