Chemical ID: 7281955

c1cc(c(cc1C=CC(=O)c2ccc3c(c2)OCCO3)[N+](=O)[O-])Cl
Chemical ID:
7281955
Name [?]:
3-(4-chloro-3-nitro-phenyl)-1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)prop-2-en-1-one
SMILES [?]:
c1cc(c(cc1C=CC(=O)c2ccc3c(c2)OCCO3)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C17H12ClNO5/c18-13-4-1-11(9-14(13)19(21)22)2-5-15(20)12-3-6-16-17(10-12)24-8-7-23-16/h1-6,9-10H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,7,12,2,8,13,19,18,5,16,6,11,3,4,9,14,15,24,21,10,22,23,20,17/E:(21,22)/CRV:19.5/rA:24nCCCCCCCCCOCCCCCCOCCON+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;s4;d21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClNO5
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.66104
Area:541.681
Solvation:-9.88099
Coulombic:-36.1034
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:345.734
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.86
LogP (Chemaxon):3.8

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