Chemical ID: 4118334

c1c(cnc(n1)Cl)Br
Chemical ID:
4118334
Name [?]:
5-bromo-2-chloro-pyrimidine
SMILES [?]:
c1c(cnc(n1)Cl)Br
InChi [?]:
InChI=1/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChi Info:
AuxInfo=1/0/N:1,3,2,5,8,7,6,4/E:(1,2)(7,8)/rA:8nCCCNCNClBr/rB:s1;d2;s3;d4;d1s5;s5;s2;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C4H2BrClN2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:6.14851
Area:280.782
Solvation:-0.871048
Coulombic:-12.3519
Bond Count [?]
All:8
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:193.429
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.24
LogP (Chemaxon):1.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue