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Chemical ID: 7530483
Chemical ID:
7530483
Name [?]:
3-[(3-bromophenyl)methoxy]benzonitrile
SMILES [?]:
c1cc(cc(c1)Br)COc2cccc(c2)C#N
InChi [?]:
InChI=1/C14H10BrNO/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,12,13,2,6,11,4,15,16,8,14,3,5,10,7,17,9/rA:17nCCCCCCBrCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s14;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrNO |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.61008 |
Area: | 444.121 |
Solvation: | -2.49294 |
Coulombic: | -13.0588 |
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: | 4.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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