2-Fluorobenzotrichloride

CAT: 0024-sc-230336Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-230336Size:5 g

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CAS Number

488-98-2

Chemical Information

Benzene, 1-fluoro-2-(trichloromethyl)-

CAS Number	488-98-2
PubChem CID	68104
IUPAC Name	1-fluoro-2-(trichloromethyl)benzene
Molecular Formula	C7H4Cl3F
Molecular Weight	213.5
XLogP	3.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

C1=CC=C(C(=C1)C(Cl)(Cl)Cl)F

InChI

InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H

InChIKey

JYLVSNNSOWDQQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 488-98-2

CID: 68104

Formula: C7H4Cl3F

MW: 213.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.5
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	211.936261
Monoisotopic Mass	211.936261
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-267523	4-Fluorobenzotrichloride
sc-266664	3-Fluorobenzotrichloride
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene

Catalog	Name
PC3578-01	2-Fluorobenzotrichloride
PC1419-01	4-Chloro-2-fluorobenzotrichloride
PC1514-01	2-Chloro-6-fluorobenzotrichloride
PC3578C-01	4-Fluorobenzotrichloride
PC1425	2-Chloro-4-fluorobenzotrichloride
PC3578B	3-Fluorobenzotrichloride
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol