Chemical ID: 4256120

CC12CCC(C1(C)CBr)C(C2=O)Br
Chemical ID:
4256120
Name [?]:
3-bromo-7-(bromomethyl)-1,7-dimethyl-norbornan-2-one
SMILES [?]:
CC12CCC(C1(C)CBr)C(C2=O)Br
InChi [?]:
InChI=1/C10H14Br2O/c1-9-4-3-6(7(12)8(9)13)10(9,2)5-11/h6-7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,4,3,8,5,10,11,2,6,9,13,12/rA:13cCCCCCCCCBrCCOBr/rB:s1;s2;s3;s4;s2s5;s6;s6;s8;s5;s2s10;d11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14Br2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:4
ZAP Information [?]
Total:7.01394
Area:351.215
Solvation:-1.76642
Coulombic:-8.47238
Bond Count [?]
All:14
Single:13
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:310.026
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.79
LogP (Chemaxon):3.87

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