1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)

C7H10Cl2O6P2+2 — CID 87621228

IUPAC1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)
SMILESClCc1ccc(Cl)cc1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H6Cl2.2HO3P/c8-5-6-1-3-7(9)4-2-6;2*1-4(2)3/h1-4H,5H2;2*(H-,1,2,3)/p+2
InChIKeyBBKKESTZDHPYJN-UHFFFAOYSA-P
MW323.01 g/mol
LogP2.34
Rot. Bonds1

About 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)

1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium) (PubChem CID 87621228) has the molecular formula C7H10Cl2O6P2+2 and a molecular weight of 323.01 g/mol. Its IUPAC name is 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium).

Molecular Properties

Compound Name1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)
PubChem CID87621228
Molecular FormulaC7H10Cl2O6P2+2
Molecular Weight323.01 g/mol
Exact Mass321.93
IUPAC Name1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)
SMILESClCc1ccc(Cl)cc1.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H6Cl2.2HO3P/c8-5-6-1-3-7(9)4-2-6;2*1-4(2)3/h1-4H,5H2;2*(H-,1,2,3)/p+2
InChIKeyBBKKESTZDHPYJN-UHFFFAOYSA-P
XLogP2.34
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.01
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium
CID 70486859
2-(4-chlorophenyl)acetate
CID 5460378
1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692
CID 70258691
CID 70258691
4-(chloromethyl)benzenecarbothioic S-acid
CID 23063088
chloro-(chloromethyl)-[(4-chlorophenyl)methyl]silane
CID 173445949
(4-chlorophenyl)methanesulfonic acid
CID 13354140
2-(4-chlorophenyl)acetyl iodide
CID 89264950

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)?
The IUPAC name of 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium) (CID 87621228) is 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium).
What is the SMILES notation for 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)?
The canonical SMILES for 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium) is ClCc1ccc(Cl)cc1.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)?
The InChIKey is BBKKESTZDHPYJN-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H6Cl2.2HO3P/c8-5-6-1-3-7(9)4-2-6;2*1-4(2)3/h1-4H,5H2;2*(H-,1,2,3)/p+2.
What are the key properties of 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium)?
1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium) has a molecular weight of 323.01 g/mol, XLogP of 2.34, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(chloromethyl)benzene;bis(dihydroxy(oxo)phosphanium) is sourced from PubChem (CID 87621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).