Chemical ID: 4701060

CC1(OC(=O)C(=CNC(=O)c2ccc(c(c2)Cl)Cl)C(=O)O1)C
Chemical ID:
4701060
Name [?]:
3,4-dichloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2ccc(c(c2)Cl)Cl)C(=O)O1)C
InChi [?]:
InChI=1/C14H11Cl2NO5/c1-14(2)21-12(19)8(13(20)22-14)6-17-11(18)7-3-4-9(15)10(16)5-7/h3-6H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,22,12,13,16,7,11,6,14,15,9,4,19,2,18,17,8,10,5,20,3,21/E:(1,2)(12,13)(19,20)(21,22)/rA:22nCCOCOCCNCOCCCCCCClClCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s6;d19;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Cl2NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.76735
Area:523.711
Solvation:-3.32542
Coulombic:-59.6298
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.146
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.48
LogP (Chemaxon):2.43

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