Chemical ID: 4254029

c1cc(cc(c1)Br)COc2ccc(cc2)C=O
Chemical ID:
4254029
Name [?]:
4-[(3-bromophenyl)methoxy]benzaldehyde
SMILES [?]:
c1cc(cc(c1)Br)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C14H11BrO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,14,11,15,4,16,8,13,3,5,10,7,17,9/E:(4,5)(6,7)/rA:17nCCCCCCBrCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.35269
Area:439.441
Solvation:-3.63332
Coulombic:-16.422
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):4.04

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Descriptor Annotations

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