Chemical ID: 6677302

CCC(C(=O)Nc1cccc(c1C)Cl)Br
Chemical ID:
6677302
Name [?]:
2-bromo-N-(3-chloro-2-methyl-phenyl)-butanamide
SMILES [?]:
CCC(C(=O)Nc1cccc(c1C)Cl)Br
InChi [?]:
InChI=1/C11H13BrClNO/c1-3-8(12)11(15)14-10-6-4-5-9(13)7(10)2/h4-6,8H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,2,9,10,8,12,3,11,7,4,15,14,6,5/rA:15cCCCCONCCCCCCCClBr/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s11;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13BrClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.73022
Area:419.346
Solvation:-1.75344
Coulombic:-21.9153
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.584
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):3.37

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