Chemical ID: 6676305

CC(C)(C#CBr)O
Chemical ID:
6676305
Name [?]:
4-bromo-2-methyl-but-3-yn-2-ol
SMILES [?]:
CC(C)(C#CBr)O
InChi [?]:
InChI=1/C5H7BrO/c1-5(2,7)3-4-6/h7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,4,5,2,6,7/E:(1,2)/rA:7nCCCCCBrO/rB:s1;s2;s2;t4;s5;s2;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H7BrO
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:5.42419
Area:275.687
Solvation:-1.46798
Coulombic:-17.0676
Bond Count [?]
All:6
Single:5
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.012
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.37
LogP (Chemaxon):1.37

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