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Chemical ID: 5111112
Chemical ID:
5111112
Name [?]:
3-(5-chloro-2-methoxy-phenyl)propan-1-ol
SMILES [?]:
COc1ccc(cc1CCCO)Cl
InChi [?]:
InChI=1/C10H13ClO2/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,5,4,11,7,8,6,3,13,12,2/rA:13nCOCCCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48479 |
Area: | 383.041 |
Solvation: | -3.09123 |
Coulombic: | -24.9921 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.662 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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