Chemical ID: 4425238

c1ccc2c(c1)C(=O)N(C2=O)COC(=O)c3ccccc3Br
Chemical ID:
4425238
Name [?]:
(1,3-dioxoisoindolin-2-yl)methyl 2-bromobenzoate
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)COC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C16H10BrNO4/c17-13-8-4-3-7-12(13)16(21)22-9-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,18,19,6,3,17,20,12,5,4,16,21,7,10,14,22,9,8,11,15,13/E:(1,2)(5,6)(10,11)(14,15)(19,20)/rA:22nCCCCCCCONCOCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.50716
Area:475.045
Solvation:-3.36897
Coulombic:-46.432
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.159
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):3.2

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