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Chemical ID: 4094525
Chemical ID:
4094525
Name [?]:
5-bromo-2-[(3-fluorophenyl)methoxy]benzaldehyde
SMILES [?]:
c1cc(cc(c1)F)COc2ccc(cc2C=O)Br
InChi [?]:
InChI=1/C14H10BrFO2/c15-12-4-5-14(11(7-12)8-17)18-9-10-2-1-3-13(16)6-10/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,4,14,16,8,3,15,13,5,10,18,7,17,9/rA:18nCCCCCCFCOCCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrFO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42572 |
Area: | 443.671 |
Solvation: | -3.66605 |
Coulombic: | -20.3692 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.13 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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