Chemical ID: 6878606

c1cc(cc(c1)Br)COC(=O)c2cccc(c2)Br
Chemical ID:
6878606
Name [?]:
(3-bromophenyl)methyl 3-bromobenzoate
SMILES [?]:
c1cc(cc(c1)Br)COC(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,6,15,4,17,8,3,12,5,16,10,7,18,11,9/rA:18nCCCCCCBrCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Br2O2
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2739
Area:472.642
Solvation:-1.54214
Coulombic:-23.0131
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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Descriptor Annotations

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