Chemical ID: 5175328

c1c2c(c(c(c1Br)O)Br)CCC(=O)O2
Chemical ID:
5175328
Name [?]:
5,7-dibromo-6-hydroxy-chroman-2-one
SMILES [?]:
c1c2c(c(c(c1Br)O)Br)CCC(=O)O2
InChi [?]:
InChI=1/C9H6Br2O3/c10-5-3-6-4(8(11)9(5)13)1-2-7(12)14-6/h3,13H,1-2H2
InChi Info:
AuxInfo=1/0/N:10,11,1,3,6,2,12,4,5,7,9,13,8,14/rA:14nCCCCCCBrOBrCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s10;s11;d12;s2s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6Br2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.03583
Area:361.409
Solvation:-2.9994
Coulombic:-31.9806
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:321.95
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):3.04

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