Chemical ID: 7323911

c1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
Chemical ID:
7323911
Name [?]:
N-benzyl-4-bromo-3-nitro-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
InChi [?]:
InChI=1/C14H11BrN2O3/c15-12-7-6-11(8-13(12)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,16,7,4,11,14,15,9,20,8,17,10,18,19/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:20nCCCCCCCNCOCCCCCCN+OO-Br/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O3
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.33192
Area:479.752
Solvation:-7.66188
Coulombic:-33.7292
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.153
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):3.47

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