Chemical ID: 7291912

CC(C(=O)O)Oc1ccc(cc1)C(=O)C=Cc2ccc(cc2)Br
Chemical ID:
7291912
Name [?]:
2-[4-[3-(4-bromophenyl)prop-2-enoyl]phenoxy]propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccc(cc1)C(=O)C=Cc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H15BrO4/c1-12(18(21)22)23-16-9-5-14(6-10-16)17(20)11-4-13-2-7-15(19)8-3-13/h2-12H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,22,16,9,11,19,21,8,12,15,2,17,10,20,7,13,3,23,14,4,5,6/E:(2,3)(5,6)(7,8)(9,10)(21,22)/rA:23cCCCOOOCCCCCCCOCCCCCCCCBr/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrO4
All Atoms:38
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.94601
Area:537.223
Solvation:-4.48455
Coulombic:-45.0006
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:375.213
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.47
LogP (Chemaxon):4.63

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