2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one

C14H7BrClNO2 — CID 695643

IUPAC2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Br)nc2cc(Cl)ccc12
InChIInChI=1S/C14H7BrClNO2/c15-11-4-2-1-3-9(11)13-17-12-7-8(16)5-6-10(12)14(18)19-13/h1-7H
InChIKeyGNYDRHNFZHVOHV-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one

2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one (PubChem CID 695643) has the molecular formula C14H7BrClNO2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one
PubChem CID695643
Molecular FormulaC14H7BrClNO2
Molecular Weight336.57 g/mol
Exact Mass334.93
IUPAC Name2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2Br)nc2cc(Cl)ccc12
InChIInChI=1S/C14H7BrClNO2/c15-11-4-2-1-3-9(11)13-17-12-7-8(16)5-6-10(12)14(18)19-13/h1-7H
InChIKeyGNYDRHNFZHVOHV-UHFFFAOYSA-N
XLogP4.27
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one (CID 695643) is 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2Br)nc2cc(Cl)ccc12.
What is the InChIKey of 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one?
The InChIKey is GNYDRHNFZHVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO2/c15-11-4-2-1-3-9(11)13-17-12-7-8(16)5-6-10(12)14(18)19-13/h1-7H.
What are the key properties of 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one?
2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one has a molecular weight of 336.57 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-7-chloro-3,1-benzoxazin-4-one is sourced from PubChem (CID 695643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).