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72168-86-6 | Phosphonic dichloride, (1-methylene-2-propenyl)-
CAS No: 72168-86-6 Catalog No: AG005JSJ MDL No:
Product Description
Catalog Number:
AG005JSJ
Chemical Name:
Phosphonic dichloride, (1-methylene-2-propenyl)-
CAS Number:
72168-86-6
Molecular Formula:
C4H5Cl2OP
Molecular Weight:
170.9617
IUPAC Name:
2-dichlorophosphorylbuta-1,3-diene
InChI:
InChI=1S/C4H5Cl2OP/c1-3-4(2)8(5,6)7/h3H,1-2H2
InChI Key:
PINDSFOGTPQBFU-UHFFFAOYSA-N
SMILES:
C=CC(=C)P(=O)(Cl)Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.946g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.957g/mol
Monoisotopic Mass:
169.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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