CID 175665005

C19H4Br6Cl5 — CID 175665005

IUPAC—
SMILESCl[C]1C(Cl)=C(Cl)C(=C(c2c(Br)cc(Br)cc2Br)c2c(Br)cc(Br)cc2Br)C(Cl)=C1Cl
InChIInChI=1S/C19H4Br6Cl5/c20-5-1-7(22)11(8(23)2-5)13(12-9(24)3-6(21)4-10(12)25)14-15(26)17(28)19(30)18(29)16(14)27/h1-4H
InChIKeyXXXLAPKRTGZHDO-UHFFFAOYSA-N
MW888.93 g/mol
LogP12.23
Rot. Bonds2

About CID 175665005

CID 175665005 (PubChem CID 175665005) has the molecular formula C19H4Br6Cl5 and a molecular weight of 888.93 g/mol.

Molecular Properties

Compound NameCID 175665005
PubChem CID175665005
Molecular FormulaC19H4Br6Cl5
Molecular Weight888.93 g/mol
Exact Mass880.39
IUPAC Name—
SMILESCl[C]1C(Cl)=C(Cl)C(=C(c2c(Br)cc(Br)cc2Br)c2c(Br)cc(Br)cc2Br)C(Cl)=C1Cl
InChIInChI=1S/C19H4Br6Cl5/c20-5-1-7(22)11(8(23)2-5)13(12-9(24)3-6(21)4-10(12)25)14-15(26)17(28)19(30)18(29)16(14)27/h1-4H
InChIKeyXXXLAPKRTGZHDO-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.93
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 175665005?
The IUPAC name of CID 175665005 (CID 175665005) is not available.
What is the SMILES notation for CID 175665005?
The canonical SMILES for CID 175665005 is Cl[C]1C(Cl)=C(Cl)C(=C(c2c(Br)cc(Br)cc2Br)c2c(Br)cc(Br)cc2Br)C(Cl)=C1Cl.
What is the InChIKey of CID 175665005?
The InChIKey is XXXLAPKRTGZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H4Br6Cl5/c20-5-1-7(22)11(8(23)2-5)13(12-9(24)3-6(21)4-10(12)25)14-15(26)17(28)19(30)18(29)16(14)27/h1-4H.
What are the key properties of CID 175665005?
CID 175665005 has a molecular weight of 888.93 g/mol, XLogP of 12.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175665005 is sourced from PubChem (CID 175665005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).