Mrv0541 02241205202D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  RAD  1   1   1
M  END
> <DATABASE_ID>
T3D1512

> <DATABASE_NAME>
t3db

> <SMILES>
[Al]Cl

> <INCHI_IDENTIFIER>
InChI=1S/Al.ClH/h;1H/q+1;/p-1

> <INCHI_KEY>
IZMHKHHRLNWLMK-UHFFFAOYSA-M

> <FORMULA>
AlCl

> <MOLECULAR_WEIGHT>
62.435

> <EXACT_MASS>
61.950391148

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.233030092838966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloroalumanylidene

> <JCHEM_LOGP>
2.0844999999999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
6.1363

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminum monochloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1512

> <NAME>
Aluminium monochloride

> <CAS>
13595-81-8

> <SYNONYMS>
ALCL; Aluminum chloride; Aluminum monochloride; Chloridoaluminium; [alcl]

> <TYPES>
Inorganic Compound; Aluminum Compound; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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