Chemical ID: 6047907

C(CCCCCCCCCCBr)CCCCCCCCCO
Chemical ID:
6047907
Name [?]:
20-bromoicosan-1-ol
SMILES [?]:
C(CCCCCCCCCCBr)CCCCCCCCCO
InChi [?]:
InChI=1/C20H41BrO/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h22H,1-20H2
InChi Info:
AuxInfo=1/0/N:2,1,3,13,4,14,5,15,6,16,7,17,8,18,9,19,10,20,11,21,12,22/rA:22nCCCCCCCCCCCBrCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s1;s13;s14;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H41BrO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:15.532
Area:694.176
Solvation:-1.82235
Coulombic:-22.0623
Bond Count [?]
All:21
Single:21
Double:0
Rotors:19
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:377.443
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:8.52
LogP (Chemaxon):7.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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