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79750-08-6 | Phosphonic acid, [2-chloro-2-(1-cyclohexen-1-yl)ethenyl]-, dibutyl ester
CAS No: 79750-08-6 Catalog No: AG005HEF MDL No:
Product Description
Catalog Number:
AG005HEF
Chemical Name:
Phosphonic acid, [2-chloro-2-(1-cyclohexen-1-yl)ethenyl]-, dibutyl ester
CAS Number:
79750-08-6
Molecular Formula:
C16H28ClO3P
Molecular Weight:
334.8185
IUPAC Name:
1-(1-chloro-2-dibutoxyphosphorylethenyl)cyclohexene
InChI:
InChI=1S/C16H28ClO3P/c1-3-5-12-19-21(18,20-13-6-4-2)14-16(17)15-10-8-7-9-11-15/h10,14H,3-9,11-13H2,1-2H3
InChI Key:
CFXIFFMJFIWEAV-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(C=C(C1=CCCCC1)Cl)OCCCC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.821g/mol
Monoisotopic Mass:
334.146g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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