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Chemical ID: 6047906
Chemical ID:
6047906
Name [?]:
12-bromododecan-1-ol
SMILES [?]:
C(CCCCCCBr)CCCCCO
InChi [?]:
InChI=1/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChi Info:
AuxInfo=1/0/N:2,1,3,9,4,10,5,11,6,12,7,13,8,14/rA:14nCCCCCCCBrCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s1;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25BrO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2116 |
Area: | 478.684 |
Solvation: | -1.75554 |
Coulombic: | -19.6271 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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