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Chemical ID: 6687528

Chemical ID:

6687528

Name [?]:

4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3-dioxa-2$l^{5}-phosphacyclohexane 2-oxide

SMILES [?]:

CC1(COP(=O)(OC1c2ccccc2Cl)O)C

InChi [?]:

InChI=1/C11H14ClO4P/c1-11(2)7-15-17(13,14)16-10(11)8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3,(H,13,14)

InChi Info:

AuxInfo=1/1/N:1,17,11,12,10,13,3,9,14,8,2,15,6,16,4,7,5/E:(1,2)(13,14)/rA:17cCCCOPOOCCCCCCCClOC/rB:s1;s2;s3;s4;d5;s5;s2s7;s8;s9;d10;s11;d12;d9s13;s14;s5;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄ClO₄P
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	2

ZAP Information [?]

Total:	7.24864
Area:	399.061
Solvation:	-2.72789
Coulombic:	-48.0965

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	276.653
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.07
LogP (Chemaxon):	2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value