Chemical ID: 7087516

c1cc(cc(c1)Br)C(=O)c2ccc(c(c2)F)F
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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