Chemical ID: 6377397

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2Br)Br
Chemical ID:
6377397
Name [?]:
N-(2,4-dibromophenyl)-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H8Br2N2O3/c14-9-4-5-12(11(15)7-9)16-13(18)8-2-1-3-10(6-8)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,4,17,3,16,5,18,13,10,20,19,12,7,11,8,9/E:(19,20)/CRV:17.5/rA:20nCCCCCCN+OO-CONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br2N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.98124
Area:484.373
Solvation:-7.12807
Coulombic:-33.451
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:400.022
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):3.99

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