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Chemical ID: 7087516
Chemical ID:
7087516
Name [?]:
(3-bromophenyl)-(3,4-difluorophenyl)-methanone
SMILES [?]:
c1cc(cc(c1)Br)C(=O)c2ccc(c(c2)F)F
InChi [?]:
InChI=1/C13H7BrF2O/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,4,15,3,10,5,13,14,8,7,17,16,9/rA:17nCCCCCCBrCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7BrF2O |
All Atoms: | 24 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.50104 |
Area: | 398.116 |
Solvation: | -3.45185 |
Coulombic: | -17.3256 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.095 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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