Chemical ID: 7246352

CN(C1CCCCC1)C(=O)COC(=O)c2ccccc2Br
Chemical ID:
7246352
Name [?]:
(cyclohexyl-methyl-carbamoyl)methyl 2-bromobenzoate
SMILES [?]:
CN(C1CCCCC1)C(=O)COC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C16H20BrNO3/c1-18(12-7-3-2-4-8-12)15(19)11-21-16(20)13-9-5-6-10-14(13)17/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,17,18,4,8,16,19,11,3,15,20,9,13,21,2,10,14,12/E:(3,4)(7,8)/rA:21nCNCCCCCCCOCOCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20BrNO3
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.92995
Area:511.031
Solvation:-2.84583
Coulombic:-37.792
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.239
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):3.14

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