Chemical ID: 5323970

c1cc(cc(c1)Br)C(=O)OCc2ccc(cc2)Br
Chemical ID:
5323970
Name [?]:
(4-bromophenyl)methyl 3-bromobenzoate
SMILES [?]:
c1cc(cc(c1)Br)C(=O)OCc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H10Br2O2/c15-12-6-4-10(5-7-12)9-18-14(17)11-2-1-3-13(16)8-11/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,17,14,16,4,11,12,3,15,5,8,18,7,9,10/E:(4,5)(6,7)/rA:18nCCCCCCBrCOOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Br2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2609
Area:472.869
Solvation:-1.56085
Coulombic:-23.0194
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:370.036
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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