Chemical ID: 4701058

CC1(OC(=O)C(=CNC(=O)c2ccccc2Cl)C(=O)O1)C
Chemical ID:
4701058
Name [?]:
2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2ccccc2Cl)C(=O)O1)C
InChi [?]:
InChI=1/C14H12ClNO5/c1-14(2)20-12(18)9(13(19)21-14)7-16-11(17)8-5-3-4-6-10(8)15/h3-7H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,21,13,14,12,15,7,11,6,16,9,4,18,2,17,8,10,5,19,3,20/E:(1,2)(12,13)(18,19)(20,21)/rA:21nCCOCOCCNCOCCCCCCClCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s6;d18;s2s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClNO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.69445
Area:483.237
Solvation:-3.38647
Coulombic:-59.4929
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.702
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.85
LogP (Chemaxon):1.91

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