Chemical ID: 4114775

c1c(cc(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F
Chemical ID:
4114775
Name [?]:
2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
SMILES [?]:
c1c(cc(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F
InChi [?]:
InChI=1/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
InChi Info:
AuxInfo=1/0/N:1,3,2,6,4,5,14,10,15,16,17,7,11,8,9,12,13/E:(1,2)(4,5)(9,10,11)(12,13)(14,15,16,17)/CRV:12.5,13.5/rA:17nCCCCCCN+OO-ClN+OO-CFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;s4;d11;s11;s2;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H2ClF3N2O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-6.9193
Area:376.727
Solvation:-16.3375
Coulombic:-29.7771
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.55
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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