3-(3-bromophenyl)-2H-1,4-benzoxazine

C14H10BrNO — CID 57325803

IUPAC3-(3-bromophenyl)-2H-1,4-benzoxazine
SMILESBrc1cccc(C2=Nc3ccccc3OC2)c1
InChIInChI=1S/C14H10BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2
InChIKeyBIGPWBHTBWXPEA-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.96
Rot. Bonds1

About 3-(3-bromophenyl)-2H-1,4-benzoxazine

3-(3-bromophenyl)-2H-1,4-benzoxazine (PubChem CID 57325803) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2H-1,4-benzoxazine
PubChem CID57325803
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name3-(3-bromophenyl)-2H-1,4-benzoxazine
SMILESBrc1cccc(C2=Nc3ccccc3OC2)c1
InChIInChI=1S/C14H10BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2
InChIKeyBIGPWBHTBWXPEA-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2H-1,4-benzoxazine?
The IUPAC name of 3-(3-bromophenyl)-2H-1,4-benzoxazine (CID 57325803) is 3-(3-bromophenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(3-bromophenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 3-(3-bromophenyl)-2H-1,4-benzoxazine is Brc1cccc(C2=Nc3ccccc3OC2)c1.
What is the InChIKey of 3-(3-bromophenyl)-2H-1,4-benzoxazine?
The InChIKey is BIGPWBHTBWXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2.
What are the key properties of 3-(3-bromophenyl)-2H-1,4-benzoxazine?
3-(3-bromophenyl)-2H-1,4-benzoxazine has a molecular weight of 288.14 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 57325803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).