Chemical ID: 4094525

c1cc(cc(c1)F)COc2ccc(cc2C=O)Br
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

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