Chemical ID: 5641893

Cc1ccc(cc1)C=C2C(=O)OC(=N2)c3cc(ccc3OC)Br
Chemical ID:
5641893
Name [?]:
2-(5-bromo-2-methoxy-phenyl)-4-(p-tolylmethylene)oxazol-5-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)OC(=N2)c3cc(ccc3OC)Br
InChi [?]:
InChI=1/C18H14BrNO3/c1-11-3-5-12(6-4-11)9-15-18(21)23-17(20-15)14-10-13(19)7-8-16(14)22-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,3,7,4,6,18,19,8,16,2,5,17,15,9,20,13,10,23,14,11,21,12/E:(3,4)(5,6)/rA:23nCCCCCCCCCCOOCNCCCCCCOCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s9d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.7961
Area:515.197
Solvation:-3.08382
Coulombic:-35.1639
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:372.213
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.93
LogP (Chemaxon):4.66

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