Chemical ID: 6158515

Cc1cccc(c1[N+](=O)[O-])C(=O)Nc2ccc(cc2)Br
Chemical ID:
6158515
Name [?]:
N-(4-bromophenyl)-3-methyl-2-nitro-benzamide
SMILES [?]:
Cc1cccc(c1[N+](=O)[O-])C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrN2O3/c1-9-3-2-4-12(13(9)17(19)20)14(18)16-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,16,18,15,19,2,17,14,6,7,11,20,13,8,12,9,10/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:20nCCCCCCCN+OO-CONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.3621
Area:462.744
Solvation:-8.2065
Coulombic:-32.3329
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.153
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):4.32

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