2-amino-4-chlorophenol;carbon dioxide

C7H6ClNO3 — CID 160735272

IUPAC2-amino-4-chlorophenol;carbon dioxide
SMILESNc1cc(Cl)ccc1O.O=C=O
InChIInChI=1S/C6H6ClNO.CO2/c7-4-1-2-6(9)5(8)3-4;2-1-3/h1-3,9H,8H2;
InChIKeyRUWDIXIKMXLEMF-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.04
Rot. Bonds

About 2-amino-4-chlorophenol;carbon dioxide

2-amino-4-chlorophenol;carbon dioxide (PubChem CID 160735272) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 2-amino-4-chlorophenol;carbon dioxide.

Molecular Properties

Compound Name2-amino-4-chlorophenol;carbon dioxide
PubChem CID160735272
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name2-amino-4-chlorophenol;carbon dioxide
SMILESNc1cc(Cl)ccc1O.O=C=O
InChIInChI=1S/C6H6ClNO.CO2/c7-4-1-2-6(9)5(8)3-4;2-1-3/h1-3,9H,8H2;
InChIKeyRUWDIXIKMXLEMF-UHFFFAOYSA-N
XLogP1.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]phenol
CID 114790369
sodium;2-amino-4-chlorophenol;1-chloro-2-nitrobenzene;chlorate;hydrochloride
CID 160565149
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
CID 146661586
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
4-amino-2-fluorophenol;carbon dioxide
CID 160625037
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
(3-amino-4-hydroxyphenyl)-chloromercury
CID 24839999
2-(2-amino-4-chlorophenoxy)phenol
CID 130156009
3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 19038227
azanium 2-amino-4-chlorobenzoate
CID 23030471
1-(2-amino-4-chlorophenyl)pyrrole-2,5-diol
CID 91897251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chlorophenol;carbon dioxide?
The IUPAC name of 2-amino-4-chlorophenol;carbon dioxide (CID 160735272) is 2-amino-4-chlorophenol;carbon dioxide.
What is the SMILES notation for 2-amino-4-chlorophenol;carbon dioxide?
The canonical SMILES for 2-amino-4-chlorophenol;carbon dioxide is Nc1cc(Cl)ccc1O.O=C=O.
What is the InChIKey of 2-amino-4-chlorophenol;carbon dioxide?
The InChIKey is RUWDIXIKMXLEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO.CO2/c7-4-1-2-6(9)5(8)3-4;2-1-3/h1-3,9H,8H2;.
What are the key properties of 2-amino-4-chlorophenol;carbon dioxide?
2-amino-4-chlorophenol;carbon dioxide has a molecular weight of 187.58 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chlorophenol;carbon dioxide is sourced from PubChem (CID 160735272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).