Chemical ID: 7272287

c1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)Br
Chemical ID:
7272287
Name [?]:
N-(2-bromophenyl)-4-cyano-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)Br
InChi [?]:
InChI=1/C14H9BrN2O/c15-12-3-1-2-4-13(12)17-14(18)11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,14,11,15,16,13,10,4,5,8,18,17,7,9/E:(5,6)(7,8)/rA:18nCCCCCCNCOCCCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;t16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9BrN2O
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.13674
Area:445.764
Solvation:-2.00737
Coulombic:-26.7006
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.138
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):3.06

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