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Chemical ID: 6047907
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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