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13337-33-2 | Phosphonic dichloride, P-(3-methyl-1,2-butadien-1-yl)-
CAS No: 13337-33-2 Catalog No: AG0014QP MDL No:
Product Description
Catalog Number:
AG0014QP
Chemical Name:
Phosphonic dichloride, P-(3-methyl-1,2-butadien-1-yl)-
CAS Number:
13337-33-2
Molecular Formula:
C5H7Cl2OP
Molecular Weight:
184.9882
IUPAC Name:
1-dichlorophosphoryl-3-methylbuta-1,2-diene
InChI:
InChI=1S/C5H7Cl2OP/c1-5(2)3-4-9(6,7)8/h4H,1-2H3
InChI Key:
WBWKMWRLRXOVAW-UHFFFAOYSA-N
SMILES:
CC(=C=CP(=O)(Cl)Cl)C
Properties
Complexity:
193
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.961g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.984g/mol
Monoisotopic Mass:
183.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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