Chemical ID: 6642636

Cc1c(cccc1Br)NC(=O)C
Chemical ID:
6642636
Name [?]:
N-(3-bromo-2-methyl-phenyl)acetamide
SMILES [?]:
Cc1c(cccc1Br)NC(=O)C
InChi [?]:
InChI=1/C9H10BrNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,5,6,4,2,10,7,3,8,9,11/rA:12nCCCCCCCBrNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10BrNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.78513
Area:339.087
Solvation:-1.69203
Coulombic:-19.9017
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:228.086
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.3
LogP (Chemaxon):1.98

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