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Chemical ID: 4655087
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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