(4-amino-2,6-dichlorophenyl) methyl carbonate

C8H7Cl2NO3 — CID 131111049

IUPAC(4-amino-2,6-dichlorophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-13-8(12)14-7-5(9)2-4(11)3-6(7)10/h2-3H,11H2,1H3
InChIKeyRODBPPRIBBZLJO-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.72
Rot. Bonds1

About (4-amino-2,6-dichlorophenyl) methyl carbonate

(4-amino-2,6-dichlorophenyl) methyl carbonate (PubChem CID 131111049) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is (4-amino-2,6-dichlorophenyl) methyl carbonate.

Molecular Properties

Compound Name(4-amino-2,6-dichlorophenyl) methyl carbonate
PubChem CID131111049
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Name(4-amino-2,6-dichlorophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C8H7Cl2NO3/c1-13-8(12)14-7-5(9)2-4(11)3-6(7)10/h2-3H,11H2,1H3
InChIKeyRODBPPRIBBZLJO-UHFFFAOYSA-N
XLogP2.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
(4-amino-2-chloro-6-methylphenyl) acetate
CID 143294448
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
methyl 5-amino-3-chloro-2-iodobenzoate
CID 68764894
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
CID 70188905
5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
CID 107198027
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
3,5-dichloro-4-methoxycarbonyloxy-2-nitrobenzoic acid
CID 163364262

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,6-dichlorophenyl) methyl carbonate?
The IUPAC name of (4-amino-2,6-dichlorophenyl) methyl carbonate (CID 131111049) is (4-amino-2,6-dichlorophenyl) methyl carbonate.
What is the SMILES notation for (4-amino-2,6-dichlorophenyl) methyl carbonate?
The canonical SMILES for (4-amino-2,6-dichlorophenyl) methyl carbonate is COC(=O)Oc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of (4-amino-2,6-dichlorophenyl) methyl carbonate?
The InChIKey is RODBPPRIBBZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-13-8(12)14-7-5(9)2-4(11)3-6(7)10/h2-3H,11H2,1H3.
What are the key properties of (4-amino-2,6-dichlorophenyl) methyl carbonate?
(4-amino-2,6-dichlorophenyl) methyl carbonate has a molecular weight of 236.05 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,6-dichlorophenyl) methyl carbonate is sourced from PubChem (CID 131111049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).