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Chemical ID: 7517841
Chemical ID:
7517841
Name [?]:
2-benzyloxy-5-chloro-benzonitrile
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C#N)Cl
InChi [?]:
InChI=1/C14H10ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,13,15,7,4,14,12,9,17,16,8/E:(2,3)(4,5)/rA:17nCCCCCCCOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;t15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClNO |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.30562 |
Area: | 443.91 |
Solvation: | -2.79214 |
Coulombic: | -13.1712 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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