2-Chlorobenzotrifluoride

CAT: 1596-AR-B06326-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06326-01Size:10 Units

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CAS Number

88-16-4

Synonyms

1-Chloro-2- (trifluoromethyl) benzene

Molecular Formula

C7H4ClF3

Molecular Weight

180.55

API Name

Benzene

Chemical Information

1-Chloro-2-(trifluoromethyl)benzene

CAS Number	88-16-4
PubChem CID	6921
IUPAC Name	1-chloro-2-(trifluoromethyl)benzene
Molecular Formula	C7H4ClF3
Molecular Weight	180.55
XLogP	3.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

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

InChI

InChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

DGRVQOKCSKDWIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88-16-4

CID: 6921

Formula: C7H4ClF3

MW: 180.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.55
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	179.9953623
Monoisotopic Mass	179.9953623
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
AR-B05532-01	4-Chlorobenzotrifluoride
AR-M02933-01	3-Chlorobenzotrifluoride
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
AR-M03112	2,2,2-Trichloroethanol
AR-S09242-01	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]ethyl Methanesulfonate
AR-V01805-01	2- (2- (2-fluorophenyl) -2-oxoethyl) malononitrile
AR-P32875-01	2- (2-Naphthyl) -2-Propanol
AR-C07166-01	2,2,2-Trichloroethyl Chloroformate
AR-A01250-01	2,2-Dimethoxy-2-Phenylacetophenone
AR-P01078-01	(Z) -methyl 2- (2,2-dimethoxyethyl) but-2-enoate

Catalog	Name
PC1690-01	2-Chlorobenzotrifluoride
C09590	2-Chlorobenzotrifluoride 95%
435329-01	5-Bromo-2-chlorobenzotrifluoride
MBS6015853-01	5-Amino-2-chlorobenzotrifluoride
sc-307003	2-Bromo-4-chlorobenzotrifluoride
TRC-A445035-10G	2-Amino-5-chlorobenzotrifluoride
sc-260736A	3-Bromo-2-chlorobenzotrifluoride
sc-261749A	4-Bromo-2-chlorobenzotrifluoride
PC9265-01	2-Bromo-5-chlorobenzotrifluoride
PC49063	2-Bromo-6-chlorobenzotrifluoride