HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride

HCID 12901011
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
70895-37-3
Standard SMILES
CC1(C)C(CC(Cl)(Cl)Cl)C1C(=O)Cl
InChIKey
PQPIXVUKRIOQBG-UHFFFAOYSA-N
Molecular formula
C8H10Cl4O
Average molar mass
264 g/mol
Monoisotopic mass
261.948576

Names & identifiers

Preferred name
2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride
IUPAC
2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carbonyl chloride
English name
2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarbonyl chloride
Molecular formula
C8H10Cl4O
Molecular weight
263.98

Names & synonyms

SCHEMBL104913742,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarbonyl chlorideCyclopropanecarbonyl chloride, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-

Database identifiers

CAS
70895-37-3
PubChem CID
12901011
Nikkaji
J23.517B

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
231

Related reactions

2 records
New reaction record
HRID 668077 reaction equation
HRID 668077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1140067 reaction equation
HRID 1140067As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes