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

C14H10BrNO — CID 57333465

IUPAC2-(3-bromophenyl)-4H-3,1-benzoxazine
SMILESBrc1cccc(C2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H10BrNO/c15-12-6-3-5-10(8-12)14-16-13-7-2-1-4-11(13)9-17-14/h1-8H,9H2
InChIKeyUIWOTRFBGHWKOR-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.06
Rot. Bonds1

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

2-(3-bromophenyl)-4H-3,1-benzoxazine (PubChem CID 57333465) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4H-3,1-benzoxazine
PubChem CID57333465
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name2-(3-bromophenyl)-4H-3,1-benzoxazine
SMILESBrc1cccc(C2=Nc3ccccc3CO2)c1
InChIInChI=1S/C14H10BrNO/c15-12-6-3-5-10(8-12)14-16-13-7-2-1-4-11(13)9-17-14/h1-8H,9H2
InChIKeyUIWOTRFBGHWKOR-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4H-3,1-benzoxazine?
The IUPAC name of 2-(3-bromophenyl)-4H-3,1-benzoxazine (CID 57333465) is 2-(3-bromophenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 2-(3-bromophenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 2-(3-bromophenyl)-4H-3,1-benzoxazine is Brc1cccc(C2=Nc3ccccc3CO2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4H-3,1-benzoxazine?
The InChIKey is UIWOTRFBGHWKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-12-6-3-5-10(8-12)14-16-13-7-2-1-4-11(13)9-17-14/h1-8H,9H2.
What are the key properties of 2-(3-bromophenyl)-4H-3,1-benzoxazine?
2-(3-bromophenyl)-4H-3,1-benzoxazine has a molecular weight of 288.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 57333465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).