2,3-dichloroprop-2-enoic acid;hydrochloride

C3H3Cl3O2 — CID 173046582

IUPAC2,3-dichloroprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)C(Cl)=CCl
InChIInChI=1S/C3H2Cl2O2.ClH/c4-1-2(5)3(6)7;/h1H,(H,6,7);1H
InChIKeyLQOJSYCDQBJLRW-UHFFFAOYSA-N
MW177.41 g/mol
LogP1.81
Rot. Bonds1

About 2,3-dichloroprop-2-enoic acid;hydrochloride

2,3-dichloroprop-2-enoic acid;hydrochloride (PubChem CID 173046582) has the molecular formula C3H3Cl3O2 and a molecular weight of 177.41 g/mol. Its IUPAC name is 2,3-dichloroprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dichloroprop-2-enoic acid;hydrochloride
PubChem CID173046582
Molecular FormulaC3H3Cl3O2
Molecular Weight177.41 g/mol
Exact Mass175.92
IUPAC Name2,3-dichloroprop-2-enoic acid;hydrochloride
SMILESCl.O=C(O)C(Cl)=CCl
InChIInChI=1S/C3H2Cl2O2.ClH/c4-1-2(5)3(6)7;/h1H,(H,6,7);1H
InChIKeyLQOJSYCDQBJLRW-UHFFFAOYSA-N
XLogP1.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloroprop-2-enoic acid;ethane-1,2-diol
CID 173459791
(E)-2-chloro-3-hydroxyprop-2-enoic acid
CID 55302917
(E)-1,1,3,4-tetrachlorobut-3-en-2-one
CID 87197692
(Z)-1,2-dichloro-4-methylpent-1-en-3-one
CID 59403646
(Z)-2,4,4-trichlorobut-2-enoic acid
CID 18362144
(Z)-2,3-dichloro-1-phenylprop-2-en-1-one
CID 15354762
(E)-2-chloro-3-cyclopropylprop-2-enoic acid
CID 129220428
2-chlorohexa-2,4-dienoic acid
CID 54548904
(2Z,4E)-2-chlorohexa-2,4-dienoic acid
CID 14647350
(Z)-2-chloro-4-hydroxypent-2-enedioic acid
CID 101007993
2-amino-5-chlorohexa-2,4-dienedioic acid
CID 25203528
oxalic acid;hydrochloride
CID 173369286

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroprop-2-enoic acid;hydrochloride?
The IUPAC name of 2,3-dichloroprop-2-enoic acid;hydrochloride (CID 173046582) is 2,3-dichloroprop-2-enoic acid;hydrochloride.
What is the SMILES notation for 2,3-dichloroprop-2-enoic acid;hydrochloride?
The canonical SMILES for 2,3-dichloroprop-2-enoic acid;hydrochloride is Cl.O=C(O)C(Cl)=CCl.
What is the InChIKey of 2,3-dichloroprop-2-enoic acid;hydrochloride?
The InChIKey is LQOJSYCDQBJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2O2.ClH/c4-1-2(5)3(6)7;/h1H,(H,6,7);1H.
What are the key properties of 2,3-dichloroprop-2-enoic acid;hydrochloride?
2,3-dichloroprop-2-enoic acid;hydrochloride has a molecular weight of 177.41 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 173046582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).