Chemical ID: 6647808

c1ccc(c(c1)C#N)NC(=O)CBr
Chemical ID:
6647808
Name [?]:
2-bromo-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)CBr
InChi [?]:
InChI=1/C9H7BrN2O/c10-5-9(13)12-8-4-2-1-3-7(8)6-11/h1-4H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,7,5,4,10,13,8,9,11/rA:13nCCCCCCCNNCOCBr/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7BrN2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.7366
Area:363.593
Solvation:-2.35322
Coulombic:-23.5933
Bond Count [?]
All:13
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:239.069
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.0
LogP (Chemaxon):1.84

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