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Chemical ID: 4116197
Chemical ID:
4116197
Name [?]:
1-(chloromethyl)-2,3-dimethoxy-benzene
SMILES [?]:
COc1cccc(c1OC)CCl
InChi [?]:
InChI=1/C9H11ClO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,6,4,11,7,3,8,12,2,9/rA:12nCOCCCCCCOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11ClO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.08063 |
Area: | 338.287 |
Solvation: | -3.37654 |
Coulombic: | -16.2016 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 186.635 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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