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Chemical ID: 5757725
Chemical ID:
5757725
Name [?]:
1-benzyloxy-4-(chloromethyl)benzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)CCl
InChi [?]:
InChI=1/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,13,10,14,15,7,12,4,9,16,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20972 |
Area: | 429.579 |
Solvation: | -2.52975 |
Coulombic: | -10.8616 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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