6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine

C14H9Cl2NO — CID 1489678

IUPAC6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine
SMILESClc1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C14H9Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2
InChIKeyXRMVNZGSGIZEDW-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.51
Rot. Bonds1

About 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine

6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine (PubChem CID 1489678) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine
PubChem CID1489678
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine
SMILESClc1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C14H9Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2
InChIKeyXRMVNZGSGIZEDW-UHFFFAOYSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine (CID 1489678) is 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine is Clc1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine?
The InChIKey is XRMVNZGSGIZEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-10-3-1-9(2-4-10)13-8-18-14-6-5-11(16)7-12(14)17-13/h1-7H,8H2.
What are the key properties of 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine?
6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine has a molecular weight of 278.14 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 1489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).