calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride

C14H14CaCl2O2 — CID 174904130

IUPACcalcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
SMILESCC(=O)O.Clc1cccc(-c2ccccc2)c1Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H8Cl2.C2H4O2.Ca.2H/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2(3)4;;;/h1-8H;1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeyZPAVURNZLRHQRG-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.60
Rot. Bonds1

About calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride

calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride (PubChem CID 174904130) has the molecular formula C14H14CaCl2O2 and a molecular weight of 325.25 g/mol. Its IUPAC name is calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride.

Molecular Properties

Compound Namecalcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
PubChem CID174904130
Molecular FormulaC14H14CaCl2O2
Molecular Weight325.25 g/mol
Exact Mass324.00
IUPAC Namecalcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
SMILESCC(=O)O.Clc1cccc(-c2ccccc2)c1Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H8Cl2.C2H4O2.Ca.2H/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2(3)4;;;/h1-8H;1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeyZPAVURNZLRHQRG-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866
CID 172733378
CID 172733378
acetic acid;benzene;1,2-dichloro-3-phenylbenzene;ethenyl acetate
CID 174824248
1,2-dichloro-3-phenylbenzene;prop-2-enyl acetate
CID 175275718
1,2-dichloro-3-phenylbenzene;methyl acetate;oxaldehydoyl 2-oxoacetate
CID 174527584
(2-chloro-3-phenylphenyl) acetate
CID 54501671
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethanone
CID 71011699
4-[4-(2,3-dichlorophenyl)phenyl]-4-oxobutanoic acid
CID 21437985
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965

Frequently Asked Questions

What is the IUPAC name of calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride?
The IUPAC name of calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride (CID 174904130) is calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride.
What is the SMILES notation for calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride?
The canonical SMILES for calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride is CC(=O)O.Clc1cccc(-c2ccccc2)c1Cl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride?
The InChIKey is ZPAVURNZLRHQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2.C2H4O2.Ca.2H/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2(3)4;;;/h1-8H;1H3,(H,3,4);;;/q;;+2;2*-1.
What are the key properties of calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride?
calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride has a molecular weight of 325.25 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride is sourced from PubChem (CID 174904130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).