Chemical ID: 4655087

c1c(c(cc(c1F)F)Cl)C(=O)n2cc(cn2)Br
Chemical ID:
4655087
Name [?]:
(4-bromopyrazol-1-yl)-(2-chloro-4,5-difluoro-phenyl)-methanone
SMILES [?]:
c1c(c(cc(c1F)F)Cl)C(=O)n2cc(cn2)Br
InChi [?]:
InChI=1/C10H4BrClF2N2O/c11-5-3-15-16(4-5)10(17)6-1-8(13)9(14)2-7(6)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,4,15,13,14,2,3,6,5,10,17,9,7,8,16,12,11/rA:17nCCCCCCFFClCONCCCNBr/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;d10;s10;s12;d13;s14;s12d15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H4BrClF2N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.55263
Area:402.478
Solvation:-3.50932
Coulombic:-21.3865
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:321.505
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.74
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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