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chlorobutanol

PropertiesImage
MNX_IDMNXM46419 Image of MNXM46419
referencechebi:134813
formulaC4H7Cl3O
global charge0
mol weight177.458
InChIKeyOSASVXMJTNOKOY-UHFFFAOYSA-N
InChIInChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
SMILESCC(C)(O)C(Cl)(Cl)Cl
MNX internals
InChI (mnx)InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 Image of MNXM46419
SMILES (mnx)[CH3:1][C:3]([CH3:2])([C:4]([Cl:5])([Cl:6])[Cl:7])[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134813
chebi:134813
OSASVXMJTNOKOY-UHFFFAOYSA-N 		chlorobutanol
acetochlorone
acetonchloroform
acetone chloroform
chlorbutanol
chlorbutol
chloreton
chloretone
trichlorobutanol

kegg.drug:D01942
keggD:D01942
OSASVXMJTNOKOY-UHFFFAOYSA-N 		Chlorobutanol (JP18/NF/INN)
Chloretone (TN)
hmdb:HMDB0250108
OSASVXMJTNOKOY-UHFFFAOYSA-N 		Chlorobutanol
1,1,1-trichloro-2-methylpropan-2-ol
Acetonchloroform
Anhydrous chlorobutanol
Chlorbutol
Chloretone
Chlorobutanol, anhydrous
Trichlorbutanol
chlorobutanol

keggD:M_D01942 		secondary/obsolete/fantasy identifier