7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine

C7H3BrCl2N2O — CID 82233669

IUPAC7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(Cl)cc(Cl)c(Br)c2o1
InChIInChI=1S/C7H3BrCl2N2O/c8-4-2(9)1-3(10)5-6(4)13-7(11)12-5/h1H,(H2,11,12)
InChIKeyPXVUFARNZIPWLN-UHFFFAOYSA-N
MW281.92 g/mol
LogP3.48
Rot. Bonds

About 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine

7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine (PubChem CID 82233669) has the molecular formula C7H3BrCl2N2O and a molecular weight of 281.92 g/mol. Its IUPAC name is 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine
PubChem CID82233669
Molecular FormulaC7H3BrCl2N2O
Molecular Weight281.92 g/mol
Exact Mass279.88
IUPAC Name7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(Cl)cc(Cl)c(Br)c2o1
InChIInChI=1S/C7H3BrCl2N2O/c8-4-2(9)1-3(10)5-6(4)13-7(11)12-5/h1H,(H2,11,12)
InChIKeyPXVUFARNZIPWLN-UHFFFAOYSA-N
XLogP3.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.92
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-bromo-4,6-dichloro-2-methyl-1,3-benzoxazole
CID 82233655
2-(7-bromo-4,6-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 82234292
7-chloro-4-methyl-1,3-benzoxazol-2-amine
CID 82229807
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
3-bromo-2,4,6-trichloroaniline
CID 14898479
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
CID 82233934
7-bromo-4,6-dichloro-1-benzofuran
CID 22144862
4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
CID 130512810
2,4-dibromo-3,5-dichloroaniline
CID 26599169
4-methylbenzo[g][1,3]benzoxazol-2-amine
CID 126618076
1-(4-bromo-3,5-dichlorophenyl)-5-N,5-N-dimethyl-1,2,4-triazole-3,5-diamine
CID 118625468

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine?
The IUPAC name of 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine (CID 82233669) is 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine is Nc1nc2c(Cl)cc(Cl)c(Br)c2o1.
What is the InChIKey of 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine?
The InChIKey is PXVUFARNZIPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2N2O/c8-4-2(9)1-3(10)5-6(4)13-7(11)12-5/h1H,(H2,11,12).
What are the key properties of 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine?
7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine has a molecular weight of 281.92 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 82233669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).