6-chloro-2H-chromene-3-carbonyl chloride

C10H6Cl2O2 — CID 2735716

IUPAC6-chloro-2H-chromene-3-carbonyl chloride
SMILESO=C(Cl)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C10H6Cl2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2
InChIKeyHGFGWTNRUGRBNQ-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.88
Rot. Bonds1

About 6-chloro-2H-chromene-3-carbonyl chloride

6-chloro-2H-chromene-3-carbonyl chloride (PubChem CID 2735716) has the molecular formula C10H6Cl2O2 and a molecular weight of 229.06 g/mol. Its IUPAC name is 6-chloro-2H-chromene-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-2H-chromene-3-carbonyl chloride
PubChem CID2735716
Molecular FormulaC10H6Cl2O2
Molecular Weight229.06 g/mol
Exact Mass227.97
IUPAC Name6-chloro-2H-chromene-3-carbonyl chloride
SMILESO=C(Cl)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C10H6Cl2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2
InChIKeyHGFGWTNRUGRBNQ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N,N-bis(2-hydroxyethyl)-2H-chromene-3-carboxamide
CID 61234889
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
2-[(6-chloro-2H-chromene-3-carbonyl)-cyclopropylamino]acetic acid
CID 60827378
N-(2-bromoprop-2-enyl)-6-chloro-2H-chromene-3-carboxamide
CID 115594500
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2H-chromene-3-carbonyl chloride?
The IUPAC name of 6-chloro-2H-chromene-3-carbonyl chloride (CID 2735716) is 6-chloro-2H-chromene-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-2H-chromene-3-carbonyl chloride?
The canonical SMILES for 6-chloro-2H-chromene-3-carbonyl chloride is O=C(Cl)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-2H-chromene-3-carbonyl chloride?
The InChIKey is HGFGWTNRUGRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2.
What are the key properties of 6-chloro-2H-chromene-3-carbonyl chloride?
6-chloro-2H-chromene-3-carbonyl chloride has a molecular weight of 229.06 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2H-chromene-3-carbonyl chloride is sourced from PubChem (CID 2735716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).